5-[1H-imidazol-5-ylsulfonyl(methyl)amino]-3-methyl-1,2-thiazole-4-carboxylic acid

C9H10N4O4S2 — CID 79401881

IUPAC5-[1H-imidazol-5-ylsulfonyl(methyl)amino]-3-methyl-1,2-thiazole-4-carboxylic acid
SMILESCc1nsc(N(C)S(=O)(=O)c2cnc[nH]2)c1C(=O)O
InChIInChI=1S/C9H10N4O4S2/c1-5-7(9(14)15)8(18-12-5)13(2)19(16,17)6-3-10-4-11-6/h3-4H,1-2H3,(H,10,11)(H,14,15)
InChIKeyRZVOIFCWCKMMQQ-UHFFFAOYSA-N
MW302.34 g/mol
LogP0.70
Rot. Bonds4

About 5-[1H-imidazol-5-ylsulfonyl(methyl)amino]-3-methyl-1,2-thiazole-4-carboxylic acid

5-[1H-imidazol-5-ylsulfonyl(methyl)amino]-3-methyl-1,2-thiazole-4-carboxylic acid (PubChem CID 79401881) has the molecular formula C9H10N4O4S2 and a molecular weight of 302.34 g/mol. Its IUPAC name is 5-[1H-imidazol-5-ylsulfonyl(methyl)amino]-3-methyl-1,2-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name5-[1H-imidazol-5-ylsulfonyl(methyl)amino]-3-methyl-1,2-thiazole-4-carboxylic acid
PubChem CID79401881
Molecular FormulaC9H10N4O4S2
Molecular Weight302.34 g/mol
Exact Mass302.01
IUPAC Name5-[1H-imidazol-5-ylsulfonyl(methyl)amino]-3-methyl-1,2-thiazole-4-carboxylic acid
SMILESCc1nsc(N(C)S(=O)(=O)c2cnc[nH]2)c1C(=O)O
InChIInChI=1S/C9H10N4O4S2/c1-5-7(9(14)15)8(18-12-5)13(2)19(16,17)6-3-10-4-11-6/h3-4H,1-2H3,(H,10,11)(H,14,15)
InChIKeyRZVOIFCWCKMMQQ-UHFFFAOYSA-N
XLogP0.70
TPSA116.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.34
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[1H-imidazol-5-ylsulfonyl(methyl)amino]-3-methyl-1,2-thiazole-4-carboxylic acid?
The IUPAC name of 5-[1H-imidazol-5-ylsulfonyl(methyl)amino]-3-methyl-1,2-thiazole-4-carboxylic acid (CID 79401881) is 5-[1H-imidazol-5-ylsulfonyl(methyl)amino]-3-methyl-1,2-thiazole-4-carboxylic acid.
What is the SMILES notation for 5-[1H-imidazol-5-ylsulfonyl(methyl)amino]-3-methyl-1,2-thiazole-4-carboxylic acid?
The canonical SMILES for 5-[1H-imidazol-5-ylsulfonyl(methyl)amino]-3-methyl-1,2-thiazole-4-carboxylic acid is Cc1nsc(N(C)S(=O)(=O)c2cnc[nH]2)c1C(=O)O.
What is the InChIKey of 5-[1H-imidazol-5-ylsulfonyl(methyl)amino]-3-methyl-1,2-thiazole-4-carboxylic acid?
The InChIKey is RZVOIFCWCKMMQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4O4S2/c1-5-7(9(14)15)8(18-12-5)13(2)19(16,17)6-3-10-4-11-6/h3-4H,1-2H3,(H,10,11)(H,14,15).
What are the key properties of 5-[1H-imidazol-5-ylsulfonyl(methyl)amino]-3-methyl-1,2-thiazole-4-carboxylic acid?
5-[1H-imidazol-5-ylsulfonyl(methyl)amino]-3-methyl-1,2-thiazole-4-carboxylic acid has a molecular weight of 302.34 g/mol, XLogP of 0.70, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1H-imidazol-5-ylsulfonyl(methyl)amino]-3-methyl-1,2-thiazole-4-carboxylic acid is sourced from PubChem (CID 79401881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).