5-[(2-methoxyphenyl)sulfonylamino]-1,3-thiazole-4-carboxylic acid

C11H10N2O5S2 — CID 86567094

IUPAC5-[(2-methoxyphenyl)sulfonylamino]-1,3-thiazole-4-carboxylic acid
SMILESCOc1ccccc1S(=O)(=O)Nc1scnc1C(=O)O
InChIInChI=1S/C11H10N2O5S2/c1-18-7-4-2-3-5-8(7)20(16,17)13-10-9(11(14)15)12-6-19-10/h2-6,13H,1H3,(H,14,15)
InChIKeyWUNYUIGFWKAYPH-UHFFFAOYSA-N
MW314.34 g/mol
LogP1.65
Rot. Bonds5

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

5-[(2-methoxyphenyl)sulfonylamino]-1,3-thiazole-4-carboxylic acid (PubChem CID 86567094) has the molecular formula C11H10N2O5S2 and a molecular weight of 314.34 g/mol. Its IUPAC name is 5-[(2-methoxyphenyl)sulfonylamino]-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name5-[(2-methoxyphenyl)sulfonylamino]-1,3-thiazole-4-carboxylic acid
PubChem CID86567094
Molecular FormulaC11H10N2O5S2
Molecular Weight314.34 g/mol
Exact Mass314.00
IUPAC Name5-[(2-methoxyphenyl)sulfonylamino]-1,3-thiazole-4-carboxylic acid
SMILESCOc1ccccc1S(=O)(=O)Nc1scnc1C(=O)O
InChIInChI=1S/C11H10N2O5S2/c1-18-7-4-2-3-5-8(7)20(16,17)13-10-9(11(14)15)12-6-19-10/h2-6,13H,1H3,(H,14,15)
InChIKeyWUNYUIGFWKAYPH-UHFFFAOYSA-N
XLogP1.65
TPSA105.59 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.34
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-[(2-methoxyphenyl)methylsulfonylamino]-1,3-thiazole-4-carboxylic acid
CID 86567026
2-[(2-methoxyphenyl)sulfonylamino]benzoic acid
CID 43091453
5-[(2,6-dichlorophenyl)sulfonylamino]-1,3-thiazole-4-carboxylic acid
CID 86566877
5-(2-methoxyphenoxy)carbonyl-1,3-thiazole-4-carboxylic acid
CID 117214754
5-(2-methoxyethylamino)-1,3-thiazole-4-carboxylic acid
CID 64631291
methyl 2-[(2-methoxyphenyl)sulfonylamino]benzoate
CID 110757322
5-[[4-(trifluoromethyl)phenyl]sulfonylamino]-1,3-thiazole-4-carboxylic acid
CID 86567415
3-methoxy-4-(phenylsulfamoyl)benzoic acid
CID 102694630
5-[(2-methoxyphenyl)sulfonylcarbamoyl]pyridine-2-carboxylic acid
CID 19970342
5-(4-methoxy-3-methylanilino)-1,3-thiazole-4-carboxylic acid
CID 64630915
5-[[6-(2-oxopropyl)-3-pyridinyl]sulfonylamino]-1,3-thiazole-4-carboxylic acid
CID 157431483
N'-(2-methoxyphenyl)sulfonylbenzohydrazide
CID 51170282

Frequently Asked Questions

What is the IUPAC name of 5-[(2-methoxyphenyl)sulfonylamino]-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 5-[(2-methoxyphenyl)sulfonylamino]-1,3-thiazole-4-carboxylic acid (CID 86567094) is 5-[(2-methoxyphenyl)sulfonylamino]-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 5-[(2-methoxyphenyl)sulfonylamino]-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 5-[(2-methoxyphenyl)sulfonylamino]-1,3-thiazole-4-carboxylic acid is COc1ccccc1S(=O)(=O)Nc1scnc1C(=O)O.
What is the InChIKey of 5-[(2-methoxyphenyl)sulfonylamino]-1,3-thiazole-4-carboxylic acid?
The InChIKey is WUNYUIGFWKAYPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O5S2/c1-18-7-4-2-3-5-8(7)20(16,17)13-10-9(11(14)15)12-6-19-10/h2-6,13H,1H3,(H,14,15).
What are the key properties of 5-[(2-methoxyphenyl)sulfonylamino]-1,3-thiazole-4-carboxylic acid?
5-[(2-methoxyphenyl)sulfonylamino]-1,3-thiazole-4-carboxylic acid has a molecular weight of 314.34 g/mol, XLogP of 1.65, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-methoxyphenyl)sulfonylamino]-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 86567094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).