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

C10H12N4O4S2 — CID 62062610

IUPAC5-[(1,2-dimethylimidazol-4-yl)sulfonylamino]-3-methyl-1,2-thiazole-4-carboxylic acid
SMILESCc1nsc(NS(=O)(=O)c2cn(C)c(C)n2)c1C(=O)O
InChIInChI=1S/C10H12N4O4S2/c1-5-8(10(15)16)9(19-12-5)13-20(17,18)7-4-14(3)6(2)11-7/h4,13H,1-3H3,(H,15,16)
InChIKeyMTGPHPXVSAWUGB-UHFFFAOYSA-N
MW316.36 g/mol
LogP0.99
Rot. Bonds4

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

5-[(1,2-dimethylimidazol-4-yl)sulfonylamino]-3-methyl-1,2-thiazole-4-carboxylic acid (PubChem CID 62062610) has the molecular formula C10H12N4O4S2 and a molecular weight of 316.36 g/mol. Its IUPAC name is 5-[(1,2-dimethylimidazol-4-yl)sulfonylamino]-3-methyl-1,2-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name5-[(1,2-dimethylimidazol-4-yl)sulfonylamino]-3-methyl-1,2-thiazole-4-carboxylic acid
PubChem CID62062610
Molecular FormulaC10H12N4O4S2
Molecular Weight316.36 g/mol
Exact Mass316.03
IUPAC Name5-[(1,2-dimethylimidazol-4-yl)sulfonylamino]-3-methyl-1,2-thiazole-4-carboxylic acid
SMILESCc1nsc(NS(=O)(=O)c2cn(C)c(C)n2)c1C(=O)O
InChIInChI=1S/C10H12N4O4S2/c1-5-8(10(15)16)9(19-12-5)13-20(17,18)7-4-14(3)6(2)11-7/h4,13H,1-3H3,(H,15,16)
InChIKeyMTGPHPXVSAWUGB-UHFFFAOYSA-N
XLogP0.99
TPSA114.18 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[(1,2-dimethylimidazol-4-yl)sulfonylamino]-3-methyl-1,2-thiazole-4-carboxylic acid?
The IUPAC name of 5-[(1,2-dimethylimidazol-4-yl)sulfonylamino]-3-methyl-1,2-thiazole-4-carboxylic acid (CID 62062610) is 5-[(1,2-dimethylimidazol-4-yl)sulfonylamino]-3-methyl-1,2-thiazole-4-carboxylic acid.
What is the SMILES notation for 5-[(1,2-dimethylimidazol-4-yl)sulfonylamino]-3-methyl-1,2-thiazole-4-carboxylic acid?
The canonical SMILES for 5-[(1,2-dimethylimidazol-4-yl)sulfonylamino]-3-methyl-1,2-thiazole-4-carboxylic acid is Cc1nsc(NS(=O)(=O)c2cn(C)c(C)n2)c1C(=O)O.
What is the InChIKey of 5-[(1,2-dimethylimidazol-4-yl)sulfonylamino]-3-methyl-1,2-thiazole-4-carboxylic acid?
The InChIKey is MTGPHPXVSAWUGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O4S2/c1-5-8(10(15)16)9(19-12-5)13-20(17,18)7-4-14(3)6(2)11-7/h4,13H,1-3H3,(H,15,16).
What are the key properties of 5-[(1,2-dimethylimidazol-4-yl)sulfonylamino]-3-methyl-1,2-thiazole-4-carboxylic acid?
5-[(1,2-dimethylimidazol-4-yl)sulfonylamino]-3-methyl-1,2-thiazole-4-carboxylic acid has a molecular weight of 316.36 g/mol, XLogP of 0.99, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1,2-dimethylimidazol-4-yl)sulfonylamino]-3-methyl-1,2-thiazole-4-carboxylic acid is sourced from PubChem (CID 62062610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).