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

C14H11N3O2S2 — CID 972844

IUPACN-(6-acetamido-1,3-benzothiazol-2-yl)thiophene-2-carboxamide
SMILESCC(=O)Nc1ccc2nc(NC(=O)c3cccs3)sc2c1
InChIInChI=1S/C14H11N3O2S2/c1-8(18)15-9-4-5-10-12(7-9)21-14(16-10)17-13(19)11-3-2-6-20-11/h2-7H,1H3,(H,15,18)(H,16,17,19)
InChIKeyMUGFDRYLKPLRIQ-UHFFFAOYSA-N
MW317.40 g/mol
LogP3.57
Rot. Bonds3

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

N-(6-acetamido-1,3-benzothiazol-2-yl)thiophene-2-carboxamide (PubChem CID 972844) has the molecular formula C14H11N3O2S2 and a molecular weight of 317.40 g/mol. Its IUPAC name is N-(6-acetamido-1,3-benzothiazol-2-yl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(6-acetamido-1,3-benzothiazol-2-yl)thiophene-2-carboxamide
PubChem CID972844
Molecular FormulaC14H11N3O2S2
Molecular Weight317.40 g/mol
Exact Mass317.03
IUPAC NameN-(6-acetamido-1,3-benzothiazol-2-yl)thiophene-2-carboxamide
SMILESCC(=O)Nc1ccc2nc(NC(=O)c3cccs3)sc2c1
InChIInChI=1S/C14H11N3O2S2/c1-8(18)15-9-4-5-10-12(7-9)21-14(16-10)17-13(19)11-3-2-6-20-11/h2-7H,1H3,(H,15,18)(H,16,17,19)
InChIKeyMUGFDRYLKPLRIQ-UHFFFAOYSA-N
XLogP3.57
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.40
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-amino-1,3-benzothiazol-6-yl)acetamide
CID 231904
N-(6-methanesulfonyl-1,3-benzothiazol-2-yl)thiophene-2-carboxamide
CID 670282
N-(6-fluoro-1,3-benzothiazol-2-yl)thiophene-2-carboxamide
CID 953485
2-(Acetoacetamido)benzothiazole
CID 20820
S-(2-(2-Benzothiazolylamino)-2-oxoethyl) ethanethioate
CID 112568
N-(6-methanesulfonyl-1,3-benzothiazol-2-yl)-5-methylthiophene-2-carboxamide
CID 1225609
N-(6-methylbenzo[d]thiazol-2-yl)thiophene-2-carboxamide
CID 739615
N-[6-(dimethylsulfamoyl)-1,3-benzothiazol-2-yl]thiophene-2-carboxamide
CID 2954087
N-(1,3-benzothiazol-2-yl)-7-sulfanylheptanamide
CID 11346934
N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)thiophene-2-carboxamide
CID 726754
N-(1,3-benzothiazol-2-yl)-2-thiophenecarboxamide
CID 843289
Acetamide, N-2-benzothiazolyl-
CID 350459

Frequently Asked Questions

What is the IUPAC name of N-(6-acetamido-1,3-benzothiazol-2-yl)thiophene-2-carboxamide?
The IUPAC name of N-(6-acetamido-1,3-benzothiazol-2-yl)thiophene-2-carboxamide (CID 972844) is N-(6-acetamido-1,3-benzothiazol-2-yl)thiophene-2-carboxamide.
What is the SMILES notation for N-(6-acetamido-1,3-benzothiazol-2-yl)thiophene-2-carboxamide?
The canonical SMILES for N-(6-acetamido-1,3-benzothiazol-2-yl)thiophene-2-carboxamide is CC(=O)Nc1ccc2nc(NC(=O)c3cccs3)sc2c1.
What is the InChIKey of N-(6-acetamido-1,3-benzothiazol-2-yl)thiophene-2-carboxamide?
The InChIKey is MUGFDRYLKPLRIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O2S2/c1-8(18)15-9-4-5-10-12(7-9)21-14(16-10)17-13(19)11-3-2-6-20-11/h2-7H,1H3,(H,15,18)(H,16,17,19).
What are the key properties of N-(6-acetamido-1,3-benzothiazol-2-yl)thiophene-2-carboxamide?
N-(6-acetamido-1,3-benzothiazol-2-yl)thiophene-2-carboxamide has a molecular weight of 317.40 g/mol, XLogP of 3.57, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-acetamido-1,3-benzothiazol-2-yl)thiophene-2-carboxamide is sourced from PubChem (CID 972844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).