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

C9H10N4O4S2 — CID 62373942

IUPAC3-methyl-5-[(1-methylimidazol-4-yl)sulfonylamino]-1,2-thiazole-4-carboxylic acid
SMILESCc1nsc(NS(=O)(=O)c2cn(C)cn2)c1C(=O)O
InChIInChI=1S/C9H10N4O4S2/c1-5-7(9(14)15)8(18-11-5)12-19(16,17)6-3-13(2)4-10-6/h3-4,12H,1-2H3,(H,14,15)
InChIKeyFKFFLFLYQYFIAE-UHFFFAOYSA-N
MW302.34 g/mol
LogP0.68
Rot. Bonds4

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

3-methyl-5-[(1-methylimidazol-4-yl)sulfonylamino]-1,2-thiazole-4-carboxylic acid (PubChem CID 62373942) has the molecular formula C9H10N4O4S2 and a molecular weight of 302.34 g/mol. Its IUPAC name is 3-methyl-5-[(1-methylimidazol-4-yl)sulfonylamino]-1,2-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name3-methyl-5-[(1-methylimidazol-4-yl)sulfonylamino]-1,2-thiazole-4-carboxylic acid
PubChem CID62373942
Molecular FormulaC9H10N4O4S2
Molecular Weight302.34 g/mol
Exact Mass302.01
IUPAC Name3-methyl-5-[(1-methylimidazol-4-yl)sulfonylamino]-1,2-thiazole-4-carboxylic acid
SMILESCc1nsc(NS(=O)(=O)c2cn(C)cn2)c1C(=O)O
InChIInChI=1S/C9H10N4O4S2/c1-5-7(9(14)15)8(18-11-5)12-19(16,17)6-3-13(2)4-10-6/h3-4,12H,1-2H3,(H,14,15)
InChIKeyFKFFLFLYQYFIAE-UHFFFAOYSA-N
XLogP0.68
TPSA114.18 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.34
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-[(1-methylimidazol-4-yl)sulfonylamino]-1,2-thiazole-4-carboxylic acid?
The IUPAC name of 3-methyl-5-[(1-methylimidazol-4-yl)sulfonylamino]-1,2-thiazole-4-carboxylic acid (CID 62373942) is 3-methyl-5-[(1-methylimidazol-4-yl)sulfonylamino]-1,2-thiazole-4-carboxylic acid.
What is the SMILES notation for 3-methyl-5-[(1-methylimidazol-4-yl)sulfonylamino]-1,2-thiazole-4-carboxylic acid?
The canonical SMILES for 3-methyl-5-[(1-methylimidazol-4-yl)sulfonylamino]-1,2-thiazole-4-carboxylic acid is Cc1nsc(NS(=O)(=O)c2cn(C)cn2)c1C(=O)O.
What is the InChIKey of 3-methyl-5-[(1-methylimidazol-4-yl)sulfonylamino]-1,2-thiazole-4-carboxylic acid?
The InChIKey is FKFFLFLYQYFIAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4O4S2/c1-5-7(9(14)15)8(18-11-5)12-19(16,17)6-3-13(2)4-10-6/h3-4,12H,1-2H3,(H,14,15).
What are the key properties of 3-methyl-5-[(1-methylimidazol-4-yl)sulfonylamino]-1,2-thiazole-4-carboxylic acid?
3-methyl-5-[(1-methylimidazol-4-yl)sulfonylamino]-1,2-thiazole-4-carboxylic acid has a molecular weight of 302.34 g/mol, XLogP of 0.68, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-[(1-methylimidazol-4-yl)sulfonylamino]-1,2-thiazole-4-carboxylic acid is sourced from PubChem (CID 62373942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).