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

C13H10N2O3S3 — CID 670282

IUPACN-(6-methylsulfonyl-1,3-benzothiazol-2-yl)thiophene-2-carboxamide
SMILESCS(=O)(=O)c1ccc2nc(NC(=O)c3cccs3)sc2c1
InChIInChI=1S/C13H10N2O3S3/c1-21(17,18)8-4-5-9-11(7-8)20-13(14-9)15-12(16)10-3-2-6-19-10/h2-7H,1H3,(H,14,15,16)
InChIKeyONRUPQZDNIVCQK-UHFFFAOYSA-N
MW338.44 g/mol
LogP3.01
Rot. Bonds3

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

N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)thiophene-2-carboxamide (PubChem CID 670282) has the molecular formula C13H10N2O3S3 and a molecular weight of 338.44 g/mol. Its IUPAC name is N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(6-methylsulfonyl-1,3-benzothiazol-2-yl)thiophene-2-carboxamide
PubChem CID670282
Molecular FormulaC13H10N2O3S3
Molecular Weight338.44 g/mol
Exact Mass337.99
IUPAC NameN-(6-methylsulfonyl-1,3-benzothiazol-2-yl)thiophene-2-carboxamide
SMILESCS(=O)(=O)c1ccc2nc(NC(=O)c3cccs3)sc2c1
InChIInChI=1S/C13H10N2O3S3/c1-21(17,18)8-4-5-9-11(7-8)20-13(14-9)15-12(16)10-3-2-6-19-10/h2-7H,1H3,(H,14,15,16)
InChIKeyONRUPQZDNIVCQK-UHFFFAOYSA-N
XLogP3.01
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.44
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)thiophene-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(6-fluoro-1,3-benzothiazol-2-yl)thiophene-2-carboxamide
CID 953485
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-(6-Methanesulfonyl-benzothiazol-2-yl)-benzamide
CID 694930
N-(1,3-benzothiazol-2-yl)-2-thiophenecarboxamide
CID 843289
N-(6-acetamido-1,3-benzothiazol-2-yl)thiophene-2-carboxamide
CID 972844
N-(2-fluorophenyl)-N'-[6-(methylsulfonyl)-1,3-benzothiazol-2-yl]urea
CID 2242090
2-methyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)cyclopropane-1-carboxamide
CID 4880510
N-1,3-benzothiazol-2-yl-2-[(4-methyl-6-oxo-1,6-dihydro-2-pyrimidinyl)thio]acetamide
CID 135460593
4-chloro-N-(6-(methylsulfonyl)benzo[d]thiazol-2-yl)benzamide
CID 1075101

Frequently Asked Questions

What is the IUPAC name of N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)thiophene-2-carboxamide?
The IUPAC name of N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)thiophene-2-carboxamide (CID 670282) is N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)thiophene-2-carboxamide.
What is the SMILES notation for N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)thiophene-2-carboxamide?
The canonical SMILES for N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)thiophene-2-carboxamide is CS(=O)(=O)c1ccc2nc(NC(=O)c3cccs3)sc2c1.
What is the InChIKey of N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)thiophene-2-carboxamide?
The InChIKey is ONRUPQZDNIVCQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2O3S3/c1-21(17,18)8-4-5-9-11(7-8)20-13(14-9)15-12(16)10-3-2-6-19-10/h2-7H,1H3,(H,14,15,16).
What are the key properties of N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)thiophene-2-carboxamide?
N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)thiophene-2-carboxamide has a molecular weight of 338.44 g/mol, XLogP of 3.01, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)thiophene-2-carboxamide is sourced from PubChem (CID 670282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).