N-(1,3-benzothiazol-2-yl)-4-sulfanylthiophene-2-carboxamide

C12H8N2OS3 — CID 107021690

IUPACN-(1,3-benzothiazol-2-yl)-4-sulfanylthiophene-2-carboxamide
SMILESO=C(Nc1nc2ccccc2s1)c1cc(S)cs1
InChIInChI=1S/C12H8N2OS3/c15-11(10-5-7(16)6-17-10)14-12-13-8-3-1-2-4-9(8)18-12/h1-6,16H,(H,13,14,15)
InChIKeyUDLZJNOZFMCGFK-UHFFFAOYSA-N
MW292.41 g/mol
LogP3.90
Rot. Bonds2

About N-(1,3-benzothiazol-2-yl)-4-sulfanylthiophene-2-carboxamide

N-(1,3-benzothiazol-2-yl)-4-sulfanylthiophene-2-carboxamide (PubChem CID 107021690) has the molecular formula C12H8N2OS3 and a molecular weight of 292.41 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-yl)-4-sulfanylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-yl)-4-sulfanylthiophene-2-carboxamide
PubChem CID107021690
Molecular FormulaC12H8N2OS3
Molecular Weight292.41 g/mol
Exact Mass291.98
IUPAC NameN-(1,3-benzothiazol-2-yl)-4-sulfanylthiophene-2-carboxamide
SMILESO=C(Nc1nc2ccccc2s1)c1cc(S)cs1
InChIInChI=1S/C12H8N2OS3/c15-11(10-5-7(16)6-17-10)14-12-13-8-3-1-2-4-9(8)18-12/h1-6,16H,(H,13,14,15)
InChIKeyUDLZJNOZFMCGFK-UHFFFAOYSA-N
XLogP3.90
TPSA41.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.41
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

N-(1,3-benzothiazol-2-yl)-2-fluoro-5-sulfanylbenzamide
CID 107021686
N-(1,3-benzothiazol-2-yl)-1,3-benzothiazole-2-carboxamide
CID 86264452
N,N'-bis(1,3-benzothiazol-2-yl)oxamide
CID 591706
N,5-bis(1,3-benzothiazol-2-yl)thiophene-2-carboxamide
CID 5102836
3,5-diamino-N-(1,3-benzothiazol-2-yl)benzamide
CID 61092934
2-amino-N-(1,3-benzothiazol-2-yl)benzamide
CID 828314
3-amino-N-(1,3-benzothiazol-2-yl)-1H-1,2,4-triazole-5-carboxamide
CID 62807877
N-(1,3-benzothiazol-2-yl)-2-chloro-5-hydroxybenzamide
CID 106501274
3,5-diacetamido-N-(1,3-benzothiazol-2-yl)benzamide
CID 35997967
2-amino-N-(1,3-benzothiazol-2-yl)-4-bromobenzamide
CID 79713852
N-(1,3-benzothiazol-2-yl)-2-hydrazinylbenzamide
CID 62236744
6-(1,3-benzothiazol-2-ylcarbamoyl)pyridine-2-carboxylic acid
CID 43558353

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-yl)-4-sulfanylthiophene-2-carboxamide?
The IUPAC name of N-(1,3-benzothiazol-2-yl)-4-sulfanylthiophene-2-carboxamide (CID 107021690) is N-(1,3-benzothiazol-2-yl)-4-sulfanylthiophene-2-carboxamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-yl)-4-sulfanylthiophene-2-carboxamide?
The canonical SMILES for N-(1,3-benzothiazol-2-yl)-4-sulfanylthiophene-2-carboxamide is O=C(Nc1nc2ccccc2s1)c1cc(S)cs1.
What is the InChIKey of N-(1,3-benzothiazol-2-yl)-4-sulfanylthiophene-2-carboxamide?
The InChIKey is UDLZJNOZFMCGFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8N2OS3/c15-11(10-5-7(16)6-17-10)14-12-13-8-3-1-2-4-9(8)18-12/h1-6,16H,(H,13,14,15).
What are the key properties of N-(1,3-benzothiazol-2-yl)-4-sulfanylthiophene-2-carboxamide?
N-(1,3-benzothiazol-2-yl)-4-sulfanylthiophene-2-carboxamide has a molecular weight of 292.41 g/mol, XLogP of 3.90, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-2-yl)-4-sulfanylthiophene-2-carboxamide is sourced from PubChem (CID 107021690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).