5-[(2,5-dimethylthiophen-3-yl)sulfonylamino]-3-methyl-1,2-thiazole-4-carboxylic acid

C11H12N2O4S3 — CID 60869983

IUPAC5-[(2,5-dimethylthiophen-3-yl)sulfonylamino]-3-methyl-1,2-thiazole-4-carboxylic acid
SMILESCc1cc(S(=O)(=O)Nc2snc(C)c2C(=O)O)c(C)s1
InChIInChI=1S/C11H12N2O4S3/c1-5-4-8(7(3)18-5)20(16,17)13-10-9(11(14)15)6(2)12-19-10/h4,13H,1-3H3,(H,14,15)
InChIKeyDOBQJARLGQHQHS-UHFFFAOYSA-N
MW332.43 g/mol
LogP2.63
Rot. Bonds4

About 5-[(2,5-dimethylthiophen-3-yl)sulfonylamino]-3-methyl-1,2-thiazole-4-carboxylic acid

5-[(2,5-dimethylthiophen-3-yl)sulfonylamino]-3-methyl-1,2-thiazole-4-carboxylic acid (PubChem CID 60869983) has the molecular formula C11H12N2O4S3 and a molecular weight of 332.43 g/mol. Its IUPAC name is 5-[(2,5-dimethylthiophen-3-yl)sulfonylamino]-3-methyl-1,2-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name5-[(2,5-dimethylthiophen-3-yl)sulfonylamino]-3-methyl-1,2-thiazole-4-carboxylic acid
PubChem CID60869983
Molecular FormulaC11H12N2O4S3
Molecular Weight332.43 g/mol
Exact Mass332.00
IUPAC Name5-[(2,5-dimethylthiophen-3-yl)sulfonylamino]-3-methyl-1,2-thiazole-4-carboxylic acid
SMILESCc1cc(S(=O)(=O)Nc2snc(C)c2C(=O)O)c(C)s1
InChIInChI=1S/C11H12N2O4S3/c1-5-4-8(7(3)18-5)20(16,17)13-10-9(11(14)15)6(2)12-19-10/h4,13H,1-3H3,(H,14,15)
InChIKeyDOBQJARLGQHQHS-UHFFFAOYSA-N
XLogP2.63
TPSA96.36 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-[(2,4-dimethylphenyl)sulfonylamino]-3-methyl-1,2-thiazole-4-carboxylic acid
CID 60869394
5-[(2-fluoro-5-methylphenyl)sulfonylamino]-3-methyl-1,2-thiazole-4-carboxylic acid
CID 60870153
5-[(2-chlorophenyl)sulfonylamino]-3-methyl-1,2-thiazole-4-carboxylic acid
CID 60868855
3-methyl-5-[(4-methylphenyl)sulfonylamino]-1,2-thiazole-4-carboxylic acid
CID 60868846
5-[(4-chloro-2-fluorophenyl)sulfonylamino]-3-methyl-1,2-thiazole-4-carboxylic acid
CID 60869980
5-[(5-bromo-4-methylthiophen-2-yl)sulfonylamino]-3-methyl-1,2-thiazole-4-carboxylic acid
CID 79988799
5-[(2-chloro-5-fluorophenyl)sulfonylamino]-3-methyl-1,2-thiazole-4-carboxylic acid
CID 105399703
5-[(3-bromothiophen-2-yl)sulfonylamino]-3-methyl-1,2-thiazole-4-carboxylic acid
CID 61458183
3-methyl-5-(pyrrolidin-1-ylsulfonylamino)-1,2-thiazole-4-carboxylic acid
CID 60869216
2,5-dimethyl-N-pyrimidin-2-ylthiophene-3-sulfonamide
CID 75521882
5-[(2,5-dimethylthiophen-3-yl)sulfonylamino]-2-fluorobenzoic acid
CID 60728615
5-[(4,5-dimethylthiophene-2-carbonyl)amino]-3-methyl-1,2-thiazole-4-carboxylic acid
CID 60869952

Frequently Asked Questions

What is the IUPAC name of 5-[(2,5-dimethylthiophen-3-yl)sulfonylamino]-3-methyl-1,2-thiazole-4-carboxylic acid?
The IUPAC name of 5-[(2,5-dimethylthiophen-3-yl)sulfonylamino]-3-methyl-1,2-thiazole-4-carboxylic acid (CID 60869983) is 5-[(2,5-dimethylthiophen-3-yl)sulfonylamino]-3-methyl-1,2-thiazole-4-carboxylic acid.
What is the SMILES notation for 5-[(2,5-dimethylthiophen-3-yl)sulfonylamino]-3-methyl-1,2-thiazole-4-carboxylic acid?
The canonical SMILES for 5-[(2,5-dimethylthiophen-3-yl)sulfonylamino]-3-methyl-1,2-thiazole-4-carboxylic acid is Cc1cc(S(=O)(=O)Nc2snc(C)c2C(=O)O)c(C)s1.
What is the InChIKey of 5-[(2,5-dimethylthiophen-3-yl)sulfonylamino]-3-methyl-1,2-thiazole-4-carboxylic acid?
The InChIKey is DOBQJARLGQHQHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O4S3/c1-5-4-8(7(3)18-5)20(16,17)13-10-9(11(14)15)6(2)12-19-10/h4,13H,1-3H3,(H,14,15).
What are the key properties of 5-[(2,5-dimethylthiophen-3-yl)sulfonylamino]-3-methyl-1,2-thiazole-4-carboxylic acid?
5-[(2,5-dimethylthiophen-3-yl)sulfonylamino]-3-methyl-1,2-thiazole-4-carboxylic acid has a molecular weight of 332.43 g/mol, XLogP of 2.63, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,5-dimethylthiophen-3-yl)sulfonylamino]-3-methyl-1,2-thiazole-4-carboxylic acid is sourced from PubChem (CID 60869983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).