3-methyl-5-[methyl-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonyl]amino]-1,2-thiazole-4-carboxylic acid

C10H11N3O5S3 — CID 79398076

IUPAC3-methyl-5-[methyl-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonyl]amino]-1,2-thiazole-4-carboxylic acid
SMILESCc1nsc(N(C)S(=O)(=O)c2sc(=O)[nH]c2C)c1C(=O)O
InChIInChI=1S/C10H11N3O5S3/c1-4-6(8(14)15)7(20-12-4)13(3)21(17,18)9-5(2)11-10(16)19-9/h1-3H3,(H,11,16)(H,14,15)
InChIKeyKNGKCSQPTSBBAU-UHFFFAOYSA-N
MW349.42 g/mol
LogP1.03
Rot. Bonds4

About 3-methyl-5-[methyl-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonyl]amino]-1,2-thiazole-4-carboxylic acid

3-methyl-5-[methyl-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonyl]amino]-1,2-thiazole-4-carboxylic acid (PubChem CID 79398076) has the molecular formula C10H11N3O5S3 and a molecular weight of 349.42 g/mol. Its IUPAC name is 3-methyl-5-[methyl-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonyl]amino]-1,2-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name3-methyl-5-[methyl-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonyl]amino]-1,2-thiazole-4-carboxylic acid
PubChem CID79398076
Molecular FormulaC10H11N3O5S3
Molecular Weight349.42 g/mol
Exact Mass348.99
IUPAC Name3-methyl-5-[methyl-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonyl]amino]-1,2-thiazole-4-carboxylic acid
SMILESCc1nsc(N(C)S(=O)(=O)c2sc(=O)[nH]c2C)c1C(=O)O
InChIInChI=1S/C10H11N3O5S3/c1-4-6(8(14)15)7(20-12-4)13(3)21(17,18)9-5(2)11-10(16)19-9/h1-3H3,(H,11,16)(H,14,15)
InChIKeyKNGKCSQPTSBBAU-UHFFFAOYSA-N
XLogP1.03
TPSA120.43 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.42
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 3-methyl-5-[methyl-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonyl]amino]-1,2-thiazole-4-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[dimethylsulfamoyl(methyl)amino]-3-methyl-1,2-thiazole-4-carboxylic acid
CID 79402264
3-methyl-5-[methyl(trifluoromethylsulfonyl)amino]-1,2-thiazole-4-carboxylic acid
CID 79402110
5-[tert-butylsulfamoyl(methyl)amino]-3-methyl-1,2-thiazole-4-carboxylic acid
CID 114806621
3-methyl-5-[methyl-(2-methyl-2-methylsulfonylpropanoyl)amino]-1,2-thiazole-4-carboxylic acid
CID 79402092
5-[(1,2-dimethylimidazol-4-yl)sulfonyl-methylamino]-3-methyl-1,2-thiazole-4-carboxylic acid
CID 79397916
5-[(1-ethylimidazol-4-yl)sulfonyl-methylamino]-3-methyl-1,2-thiazole-4-carboxylic acid
CID 79398082
5-[2,2-dimethylpropanoyl(methyl)amino]-3-methyl-1,2-thiazole-4-carboxylic acid
CID 79401922
N-tert-butyl-2-[methyl-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonyl]amino]acetamide
CID 60724951
3-methyl-5-[methyl(1H-pyrrole-2-carbonyl)amino]-1,2-thiazole-4-carboxylic acid
CID 79402389
4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
CID 16794146
N-[3-(dimethylamino)propyl]-N-ethyl-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
CID 102995737
N-(3-hydroxybutyl)-N,4-dimethyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
CID 113499785

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-[methyl-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonyl]amino]-1,2-thiazole-4-carboxylic acid?
The IUPAC name of 3-methyl-5-[methyl-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonyl]amino]-1,2-thiazole-4-carboxylic acid (CID 79398076) is 3-methyl-5-[methyl-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonyl]amino]-1,2-thiazole-4-carboxylic acid.
What is the SMILES notation for 3-methyl-5-[methyl-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonyl]amino]-1,2-thiazole-4-carboxylic acid?
The canonical SMILES for 3-methyl-5-[methyl-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonyl]amino]-1,2-thiazole-4-carboxylic acid is Cc1nsc(N(C)S(=O)(=O)c2sc(=O)[nH]c2C)c1C(=O)O.
What is the InChIKey of 3-methyl-5-[methyl-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonyl]amino]-1,2-thiazole-4-carboxylic acid?
The InChIKey is KNGKCSQPTSBBAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O5S3/c1-4-6(8(14)15)7(20-12-4)13(3)21(17,18)9-5(2)11-10(16)19-9/h1-3H3,(H,11,16)(H,14,15).
What are the key properties of 3-methyl-5-[methyl-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonyl]amino]-1,2-thiazole-4-carboxylic acid?
3-methyl-5-[methyl-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonyl]amino]-1,2-thiazole-4-carboxylic acid has a molecular weight of 349.42 g/mol, XLogP of 1.03, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-[methyl-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonyl]amino]-1,2-thiazole-4-carboxylic acid is sourced from PubChem (CID 79398076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).