N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)thiadiazole-4-carboxamide

C11H8N4O3S3 — CID 17012662

IUPACN-(6-methylsulfonyl-1,3-benzothiazol-2-yl)thiadiazole-4-carboxamide
SMILESCS(=O)(=O)c1ccc2nc(NC(=O)c3csnn3)sc2c1
InChIInChI=1S/C11H8N4O3S3/c1-21(17,18)6-2-3-7-9(4-6)20-11(12-7)13-10(16)8-5-19-15-14-8/h2-5H,1H3,(H,12,13,16)
InChIKeyMKAOTJPJANZZGZ-UHFFFAOYSA-N
MW340.41 g/mol
LogP1.80
Rot. Bonds3

About N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)thiadiazole-4-carboxamide

N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)thiadiazole-4-carboxamide (PubChem CID 17012662) has the molecular formula C11H8N4O3S3 and a molecular weight of 340.41 g/mol. Its IUPAC name is N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)thiadiazole-4-carboxamide.

Molecular Properties

Compound NameN-(6-methylsulfonyl-1,3-benzothiazol-2-yl)thiadiazole-4-carboxamide
PubChem CID17012662
Molecular FormulaC11H8N4O3S3
Molecular Weight340.41 g/mol
Exact Mass339.98
IUPAC NameN-(6-methylsulfonyl-1,3-benzothiazol-2-yl)thiadiazole-4-carboxamide
SMILESCS(=O)(=O)c1ccc2nc(NC(=O)c3csnn3)sc2c1
InChIInChI=1S/C11H8N4O3S3/c1-21(17,18)6-2-3-7-9(4-6)20-11(12-7)13-10(16)8-5-19-15-14-8/h2-5H,1H3,(H,12,13,16)
InChIKeyMKAOTJPJANZZGZ-UHFFFAOYSA-N
XLogP1.80
TPSA101.91 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.41
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-(6-amino-1,3-benzothiazol-2-yl)thiadiazole-4-carboxamide
CID 65214484
5-methyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-1,2-oxazole-3-carboxamide
CID 2971235
2-[(6-methylsulfonyl-1,3-benzothiazol-2-yl)carbamoyl]benzoic acid
CID 2255145
6-methoxy-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)pyrimidine-4-carboxamide
CID 121167400
2,5-dimethyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)thiophene-3-carboxamide
CID 18196513
5-(4-methylphenyl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-1,2-oxazole-3-carboxamide
CID 17013473
3-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-2-nitrobenzene-1,3-dicarboxamide
CID 174619965
4-methylsulfanyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)benzamide
CID 7565342
N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)furo[3,2-b]pyridine-2-carboxamide
CID 16906882
2,3,4,5-tetrafluoro-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)benzamide
CID 8013057
5-(2-fluorophenyl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)thiophene-2-carboxamide
CID 55604393
3-bromo-5-methyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)benzamide
CID 167861031

Frequently Asked Questions

What is the IUPAC name of N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)thiadiazole-4-carboxamide?
The IUPAC name of N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)thiadiazole-4-carboxamide (CID 17012662) is N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)thiadiazole-4-carboxamide.
What is the SMILES notation for N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)thiadiazole-4-carboxamide?
The canonical SMILES for N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)thiadiazole-4-carboxamide is CS(=O)(=O)c1ccc2nc(NC(=O)c3csnn3)sc2c1.
What is the InChIKey of N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)thiadiazole-4-carboxamide?
The InChIKey is MKAOTJPJANZZGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N4O3S3/c1-21(17,18)6-2-3-7-9(4-6)20-11(12-7)13-10(16)8-5-19-15-14-8/h2-5H,1H3,(H,12,13,16).
What are the key properties of N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)thiadiazole-4-carboxamide?
N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)thiadiazole-4-carboxamide has a molecular weight of 340.41 g/mol, XLogP of 1.80, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)thiadiazole-4-carboxamide is sourced from PubChem (CID 17012662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).