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

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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).