Chemical identity

N-(2-Amino-4,5,6,7-tetrahydro-6-benzothiazolyl)acetamide

CAS 104617-51-8 · C9H13N3OS

01Identity

Identifiers and names for this exact compound. Empty fields are left unassigned.

Lazychem IDLC-20849
PubChem CID13670690
NameN-(2-Amino-4,5,6,7-tetrahydro-6-benzothiazolyl)acetamide
CAS RN104617-51-8
Molecular formulaC9H13N3OS
Molecular weight211.28 g/mol
IUPAC nameN-(2-Amino-4,5,6,7-tetrahydro-6-benzothiazolyl)acetamide
InChIKeyQXKCTWPNUINDQK-UHFFFAOYSA-N

02Structure identifiers

2D structurePubChem CID 13670690
2D structure: N-(2-Amino-4,5,6,7-tetrahydro-6-benzothiazolyl)acetamide, CAS 104617-51-8
Structure of N-(2-Amino-4,5,6,7-tetrahydro-6-benzothiazolyl)acetamide (CAS 104617-51-8). LazyChem record. Source identity: PubChem CID 13670690. Confirm the identifiers before analytical use.Download structure image

Structure facts for this exact identity.

Molecular formulaC9H13N3OS
InChIKeyQXKCTWPNUINDQK-UHFFFAOYSA-N
Ring count2
Defined stereocentres0
Unassigned stereocentres1
SMILESCC(NC(C1)CCC2=C1SC(N)=N2)=O
InChIInChI=1S/C9H13N3OS/c1-5(13)11-6-2-3-7-8(4-6)14-9(10)12-7/h6H,2-4H2,1H3,(H2,10,12)(H,11,13)

03Stereochemistry

The published structure contains 0 defined and 1 unassigned tetrahedral stereocentre. The exact wedge-and-dash depiction is shown above.

Defined stereocentres02D structure
Unassigned stereocentres12D structure
Assignment statusUnassignedExact published identity
Tetrahedral upper bound≤ 2Before symmetry reduction

Published same-connectivity configurations

2 records

These records have the same connectivity, molecular formula and protonation layer, but a different complete InChIKey stereochemical layer. Only separately structure-linked records are shown.

Scope: The mathematical 2^n value is only an upper bound. Symmetry and other stereogenic elements can change the number of distinct stereoisomers. A hypothetical configuration is not published as a compound record without a verified structure identity.

04India status for this compound

These results apply only to this exact compound name and CAS number. Confirm the current official instruments before making a regulatory decision.

NDPS / RCSNOT FOUND IN REVIEWED ENTRIESCAS 104617-51-8 was not found in the reviewed exact-identity entries. Generic, class, analogue, salt and isomer provisions were not evaluated.
SCOMETNOT FOUND IN REVIEWED CAS ENTRIESCAS 104617-51-8 was not found in the reviewed exact-CAS mapping. Generic and analogue entries were not evaluated.

05Names and relationships

Associated parent compound

Pramipexole

View API and impurity family

Other names

  • 6-Acetamido-2-amino-4, 5, 6, 7-tetrahydrobenzothiazole
  • 6-acetylamino-2-amino-4, 5, 6, 7-tetrahydro-benzthiazole

Related records from the same parent family

06Documented history

Dated discovery, occurrence, use and issue claims are published only when a suitable primary or government source is available.

No dated history available

No verified discovery, first report, occurrence, use or issue event is currently available for this identity.

07Sources