2,5-dimethyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)thiophene-3-carboxamide

C15H14N2O3S3 — CID 18196513

IUPAC2,5-dimethyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)thiophene-3-carboxamide
SMILESCc1cc(C(=O)Nc2nc3ccc(S(C)(=O)=O)cc3s2)c(C)s1
InChIInChI=1S/C15H14N2O3S3/c1-8-6-11(9(2)21-8)14(18)17-15-16-12-5-4-10(23(3,19)20)7-13(12)22-15/h4-7H,1-3H3,(H,16,17,18)
InChIKeyDRMRJFZLILNDQA-UHFFFAOYSA-N
MW366.49 g/mol
LogP3.63
Rot. Bonds3

About 2,5-dimethyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)thiophene-3-carboxamide

2,5-dimethyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)thiophene-3-carboxamide (PubChem CID 18196513) has the molecular formula C15H14N2O3S3 and a molecular weight of 366.49 g/mol. Its IUPAC name is 2,5-dimethyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)thiophene-3-carboxamide.

Molecular Properties

Compound Name2,5-dimethyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)thiophene-3-carboxamide
PubChem CID18196513
Molecular FormulaC15H14N2O3S3
Molecular Weight366.49 g/mol
Exact Mass366.02
IUPAC Name2,5-dimethyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)thiophene-3-carboxamide
SMILESCc1cc(C(=O)Nc2nc3ccc(S(C)(=O)=O)cc3s2)c(C)s1
InChIInChI=1S/C15H14N2O3S3/c1-8-6-11(9(2)21-8)14(18)17-15-16-12-5-4-10(23(3,19)20)7-13(12)22-15/h4-7H,1-3H3,(H,16,17,18)
InChIKeyDRMRJFZLILNDQA-UHFFFAOYSA-N
XLogP3.63
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.49
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(6-methylsulfonyl-1,3-benzothiazol-2-yl)carbamoyl]benzoic acid
CID 2255145
2,3,4,5-tetrafluoro-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)benzamide
CID 8013057
5-methyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-1,2-oxazole-3-carboxamide
CID 2971235
3-bromo-5-methyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)benzamide
CID 167861031
5-methyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-1-phenylpyrazole-4-carboxamide
CID 108791910
4-methylsulfanyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)benzamide
CID 7565342
N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)thiadiazole-4-carboxamide
CID 17012662
3,6,7-trimethyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-1-benzofuran-2-carboxamide
CID 986538
2-(3,4-dimethylphenyl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)acetamide
CID 2666726
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
1-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-4-(trifluoromethyl)benzene-1,2-dicarboxamide
CID 142785227

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)thiophene-3-carboxamide?
The IUPAC name of 2,5-dimethyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)thiophene-3-carboxamide (CID 18196513) is 2,5-dimethyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)thiophene-3-carboxamide.
What is the SMILES notation for 2,5-dimethyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)thiophene-3-carboxamide?
The canonical SMILES for 2,5-dimethyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)thiophene-3-carboxamide is Cc1cc(C(=O)Nc2nc3ccc(S(C)(=O)=O)cc3s2)c(C)s1.
What is the InChIKey of 2,5-dimethyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)thiophene-3-carboxamide?
The InChIKey is DRMRJFZLILNDQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O3S3/c1-8-6-11(9(2)21-8)14(18)17-15-16-12-5-4-10(23(3,19)20)7-13(12)22-15/h4-7H,1-3H3,(H,16,17,18).
What are the key properties of 2,5-dimethyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)thiophene-3-carboxamide?
2,5-dimethyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)thiophene-3-carboxamide has a molecular weight of 366.49 g/mol, XLogP of 3.63, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)thiophene-3-carboxamide is sourced from PubChem (CID 18196513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).