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

C10H9BrN2O4S3 — CID 79988799

IUPAC5-[(5-bromo-4-methylthiophen-2-yl)sulfonylamino]-3-methyl-1,2-thiazole-4-carboxylic acid
SMILESCc1cc(S(=O)(=O)Nc2snc(C)c2C(=O)O)sc1Br
InChIInChI=1S/C10H9BrN2O4S3/c1-4-3-6(18-8(4)11)20(16,17)13-9-7(10(14)15)5(2)12-19-9/h3,13H,1-2H3,(H,14,15)
InChIKeyOTRMWYFHDSEQSF-UHFFFAOYSA-N
MW397.30 g/mol
LogP3.08
Rot. Bonds4

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

5-[(5-bromo-4-methylthiophen-2-yl)sulfonylamino]-3-methyl-1,2-thiazole-4-carboxylic acid (PubChem CID 79988799) has the molecular formula C10H9BrN2O4S3 and a molecular weight of 397.30 g/mol. Its IUPAC name is 5-[(5-bromo-4-methylthiophen-2-yl)sulfonylamino]-3-methyl-1,2-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name5-[(5-bromo-4-methylthiophen-2-yl)sulfonylamino]-3-methyl-1,2-thiazole-4-carboxylic acid
PubChem CID79988799
Molecular FormulaC10H9BrN2O4S3
Molecular Weight397.30 g/mol
Exact Mass395.89
IUPAC Name5-[(5-bromo-4-methylthiophen-2-yl)sulfonylamino]-3-methyl-1,2-thiazole-4-carboxylic acid
SMILESCc1cc(S(=O)(=O)Nc2snc(C)c2C(=O)O)sc1Br
InChIInChI=1S/C10H9BrN2O4S3/c1-4-3-6(18-8(4)11)20(16,17)13-9-7(10(14)15)5(2)12-19-9/h3,13H,1-2H3,(H,14,15)
InChIKeyOTRMWYFHDSEQSF-UHFFFAOYSA-N
XLogP3.08
TPSA96.36 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.30
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-[(5-bromo-4-methylthiophen-2-yl)sulfonylamino]-3-methyl-1,2-thiazole-4-carboxylic acid with MolForge

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Related Compounds

5-[(2,5-dimethylthiophen-3-yl)sulfonylamino]-3-methyl-1,2-thiazole-4-carboxylic acid
CID 60869983
5-[(2,4-dimethylphenyl)sulfonylamino]-3-methyl-1,2-thiazole-4-carboxylic acid
CID 60869394
3-methyl-5-[(4-methylphenyl)sulfonylamino]-1,2-thiazole-4-carboxylic acid
CID 60868846
5-[(3-bromothiophen-2-yl)sulfonylamino]-3-methyl-1,2-thiazole-4-carboxylic acid
CID 61458183
3-[(5-bromo-4-methylthiophen-2-yl)sulfonylamino]-4-methylthiophene-2-carboxylic acid
CID 114915305
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
5-[(4-chloro-2-fluorophenyl)sulfonylamino]-3-methyl-1,2-thiazole-4-carboxylic acid
CID 60869980
5-[(2-chloro-5-fluorophenyl)sulfonylamino]-3-methyl-1,2-thiazole-4-carboxylic acid
CID 105399703
5-bromo-N-(4-bromo-3,5-dimethylphenyl)-4-methylthiophene-2-sulfonamide
CID 107575185
N'-(5-bromo-4-methylthiophen-2-yl)sulfonylacetohydrazide
CID 79994957
5-bromo-N-(4-hydroxy-2,5-dimethylphenyl)-4-methylthiophene-2-sulfonamide
CID 106831901

Frequently Asked Questions

What is the IUPAC name of 5-[(5-bromo-4-methylthiophen-2-yl)sulfonylamino]-3-methyl-1,2-thiazole-4-carboxylic acid?
The IUPAC name of 5-[(5-bromo-4-methylthiophen-2-yl)sulfonylamino]-3-methyl-1,2-thiazole-4-carboxylic acid (CID 79988799) is 5-[(5-bromo-4-methylthiophen-2-yl)sulfonylamino]-3-methyl-1,2-thiazole-4-carboxylic acid.
What is the SMILES notation for 5-[(5-bromo-4-methylthiophen-2-yl)sulfonylamino]-3-methyl-1,2-thiazole-4-carboxylic acid?
The canonical SMILES for 5-[(5-bromo-4-methylthiophen-2-yl)sulfonylamino]-3-methyl-1,2-thiazole-4-carboxylic acid is Cc1cc(S(=O)(=O)Nc2snc(C)c2C(=O)O)sc1Br.
What is the InChIKey of 5-[(5-bromo-4-methylthiophen-2-yl)sulfonylamino]-3-methyl-1,2-thiazole-4-carboxylic acid?
The InChIKey is OTRMWYFHDSEQSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrN2O4S3/c1-4-3-6(18-8(4)11)20(16,17)13-9-7(10(14)15)5(2)12-19-9/h3,13H,1-2H3,(H,14,15).
What are the key properties of 5-[(5-bromo-4-methylthiophen-2-yl)sulfonylamino]-3-methyl-1,2-thiazole-4-carboxylic acid?
5-[(5-bromo-4-methylthiophen-2-yl)sulfonylamino]-3-methyl-1,2-thiazole-4-carboxylic acid has a molecular weight of 397.30 g/mol, XLogP of 3.08, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-bromo-4-methylthiophen-2-yl)sulfonylamino]-3-methyl-1,2-thiazole-4-carboxylic acid is sourced from PubChem (CID 79988799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).