4-methyl-N-(3-methylsulfonylphenyl)-2-thiophen-3-yl-1,3-thiazole-5-carboxamide

C16H14N2O3S3 — CID 25497583

IUPAC4-methyl-N-(3-methylsulfonylphenyl)-2-thiophen-3-yl-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2ccsc2)sc1C(=O)Nc1cccc(S(C)(=O)=O)c1
InChIInChI=1S/C16H14N2O3S3/c1-10-14(23-16(17-10)11-6-7-22-9-11)15(19)18-12-4-3-5-13(8-12)24(2,20)21/h3-9H,1-2H3,(H,18,19)
InChIKeyILNAOBYBOAQGRG-UHFFFAOYSA-N
MW378.50 g/mol
LogP3.84
Rot. Bonds4

About 4-methyl-N-(3-methylsulfonylphenyl)-2-thiophen-3-yl-1,3-thiazole-5-carboxamide

4-methyl-N-(3-methylsulfonylphenyl)-2-thiophen-3-yl-1,3-thiazole-5-carboxamide (PubChem CID 25497583) has the molecular formula C16H14N2O3S3 and a molecular weight of 378.50 g/mol. Its IUPAC name is 4-methyl-N-(3-methylsulfonylphenyl)-2-thiophen-3-yl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-methyl-N-(3-methylsulfonylphenyl)-2-thiophen-3-yl-1,3-thiazole-5-carboxamide
PubChem CID25497583
Molecular FormulaC16H14N2O3S3
Molecular Weight378.50 g/mol
Exact Mass378.02
IUPAC Name4-methyl-N-(3-methylsulfonylphenyl)-2-thiophen-3-yl-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2ccsc2)sc1C(=O)Nc1cccc(S(C)(=O)=O)c1
InChIInChI=1S/C16H14N2O3S3/c1-10-14(23-16(17-10)11-6-7-22-9-11)15(19)18-12-4-3-5-13(8-12)24(2,20)21/h3-9H,1-2H3,(H,18,19)
InChIKeyILNAOBYBOAQGRG-UHFFFAOYSA-N
XLogP3.84
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.50
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-acetylphenyl)-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide
CID 9078887
4-methyl-N-phenyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide
CID 8871070
N-(3,5-dimethylphenyl)-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide
CID 17497475
N-(4-cyclopentylsulfonylphenyl)-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide
CID 39177524
N-(4-carbamoyl-3-chlorophenyl)-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide
CID 39170277
2-(4-chlorophenyl)-N-[3-(dimethylsulfamoyl)phenyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 25434513
4-methyl-N-(3-methyl-2-pyridinyl)-2-thiophen-3-yl-1,3-thiazole-5-carboxamide
CID 35033188
2-(4-fluorophenyl)-N-(3-hydroxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 78823798
N-cyano-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide
CID 79194223
4-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-2-thiophen-3-yl-1,3-thiazole-5-carboxamide
CID 17455034
N-(5-chloro-2-hydroxyphenyl)-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide
CID 56581492
4-methyl-N-(2-methylsulfonyl-3,4-dihydro-1H-isoquinolin-5-yl)-2-thiophen-3-yl-1,3-thiazole-5-carboxamide
CID 86878447

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(3-methylsulfonylphenyl)-2-thiophen-3-yl-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-methyl-N-(3-methylsulfonylphenyl)-2-thiophen-3-yl-1,3-thiazole-5-carboxamide (CID 25497583) is 4-methyl-N-(3-methylsulfonylphenyl)-2-thiophen-3-yl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-methyl-N-(3-methylsulfonylphenyl)-2-thiophen-3-yl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-methyl-N-(3-methylsulfonylphenyl)-2-thiophen-3-yl-1,3-thiazole-5-carboxamide is Cc1nc(-c2ccsc2)sc1C(=O)Nc1cccc(S(C)(=O)=O)c1.
What is the InChIKey of 4-methyl-N-(3-methylsulfonylphenyl)-2-thiophen-3-yl-1,3-thiazole-5-carboxamide?
The InChIKey is ILNAOBYBOAQGRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O3S3/c1-10-14(23-16(17-10)11-6-7-22-9-11)15(19)18-12-4-3-5-13(8-12)24(2,20)21/h3-9H,1-2H3,(H,18,19).
What are the key properties of 4-methyl-N-(3-methylsulfonylphenyl)-2-thiophen-3-yl-1,3-thiazole-5-carboxamide?
4-methyl-N-(3-methylsulfonylphenyl)-2-thiophen-3-yl-1,3-thiazole-5-carboxamide has a molecular weight of 378.50 g/mol, XLogP of 3.84, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(3-methylsulfonylphenyl)-2-thiophen-3-yl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 25497583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).