4-phenyl-2-(sulfamoylmethyl)-1,3-thiazole-5-carboxylic acid

C11H10N2O4S2 — CID 113390002

IUPAC4-phenyl-2-(sulfamoylmethyl)-1,3-thiazole-5-carboxylic acid
SMILESNS(=O)(=O)Cc1nc(-c2ccccc2)c(C(=O)O)s1
InChIInChI=1S/C11H10N2O4S2/c12-19(16,17)6-8-13-9(10(18-8)11(14)15)7-4-2-1-3-5-7/h1-5H,6H2,(H,14,15)(H2,12,16,17)
InChIKeyBXPFTEBBOQXWOM-UHFFFAOYSA-N
MW298.34 g/mol
LogP1.30
Rot. Bonds4

About 4-phenyl-2-(sulfamoylmethyl)-1,3-thiazole-5-carboxylic acid

4-phenyl-2-(sulfamoylmethyl)-1,3-thiazole-5-carboxylic acid (PubChem CID 113390002) has the molecular formula C11H10N2O4S2 and a molecular weight of 298.34 g/mol. Its IUPAC name is 4-phenyl-2-(sulfamoylmethyl)-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name4-phenyl-2-(sulfamoylmethyl)-1,3-thiazole-5-carboxylic acid
PubChem CID113390002
Molecular FormulaC11H10N2O4S2
Molecular Weight298.34 g/mol
Exact Mass298.01
IUPAC Name4-phenyl-2-(sulfamoylmethyl)-1,3-thiazole-5-carboxylic acid
SMILESNS(=O)(=O)Cc1nc(-c2ccccc2)c(C(=O)O)s1
InChIInChI=1S/C11H10N2O4S2/c12-19(16,17)6-8-13-9(10(18-8)11(14)15)7-4-2-1-3-5-7/h1-5H,6H2,(H,14,15)(H2,12,16,17)
InChIKeyBXPFTEBBOQXWOM-UHFFFAOYSA-N
XLogP1.30
TPSA110.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-phenyl-2-(sulfamoylmethyl)-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 4-phenyl-2-(sulfamoylmethyl)-1,3-thiazole-5-carboxylic acid (CID 113390002) is 4-phenyl-2-(sulfamoylmethyl)-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 4-phenyl-2-(sulfamoylmethyl)-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 4-phenyl-2-(sulfamoylmethyl)-1,3-thiazole-5-carboxylic acid is NS(=O)(=O)Cc1nc(-c2ccccc2)c(C(=O)O)s1.
What is the InChIKey of 4-phenyl-2-(sulfamoylmethyl)-1,3-thiazole-5-carboxylic acid?
The InChIKey is BXPFTEBBOQXWOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O4S2/c12-19(16,17)6-8-13-9(10(18-8)11(14)15)7-4-2-1-3-5-7/h1-5H,6H2,(H,14,15)(H2,12,16,17).
What are the key properties of 4-phenyl-2-(sulfamoylmethyl)-1,3-thiazole-5-carboxylic acid?
4-phenyl-2-(sulfamoylmethyl)-1,3-thiazole-5-carboxylic acid has a molecular weight of 298.34 g/mol, XLogP of 1.30, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-2-(sulfamoylmethyl)-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 113390002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).