N-(6-acetamido-1,3-benzothiazol-2-yl)thiophene-2-carboxamide

HCID 972844

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Basic information

CAS: 325978-27-6
Standard SMILES: CC(=O)Nc1ccc2nc(NC(=O)c3cccs3)sc2c1
InChIKey: MUGFDRYLKPLRIQ-UHFFFAOYSA-N
Molecular formula: C14H11N3O2S2
Average molar mass: 317.4 g/mol
Monoisotopic mass: 317.02926895

Names & identifiers

Preferred name: N-(6-acetamido-1,3-benzothiazol-2-yl)thiophene-2-carboxamide
IUPAC: N-(6-acetamido-1,3-benzothiazol-2-yl)thiophene-2-carboxamide

Names & synonyms

325978-27-6N-(6-acetamido-1,3-benzothiazol-2-yl)thiophene-2-carboxamideN-(6-acetamidobenzo[d]thiazol-2-yl)thiophene-2-carboxamideMLS000765485IFLab1_000153CHEMBL1477575DTXSID001320744HMS1412G21HMS2758D21STK227956AKOS000587332IDI1_008372

Show more names

SMR000289590AB00357588-03SR-01000774930-2Z56174351F0014-0208N-[6-(acetylamino)-1,3-benzothiazol-2-yl]thiophene-2-carboxamide

Database identifiers

CAS: 325978-27-6
PubChem CID: 972844
DTXSID: DTXSID001320744
ChEMBL: CHEMBL1477575

Properties

Computed structural properties

XLogP: 2.7
Topological polar surface area: 128 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 5
Rotatable bonds: 3
Heavy atoms: 21
Formal charge: 0
Complexity: 421

Experimental & physicochemical properties

Solubility3.6 [ug/mL] (The mean of the results at pH 7.4)

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