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

C13H14N2O5S2 — CID 28690712

IUPAC2-[(4-methoxy-3-methylphenyl)sulfonylamino]-4-methyl-1,3-thiazole-5-carboxylic acid
SMILESCOc1ccc(S(=O)(=O)Nc2nc(C)c(C(=O)O)s2)cc1C
InChIInChI=1S/C13H14N2O5S2/c1-7-6-9(4-5-10(7)20-3)22(18,19)15-13-14-8(2)11(21-13)12(16)17/h4-6H,1-3H3,(H,14,15)(H,16,17)
InChIKeyKLNRYXSFPCJVNU-UHFFFAOYSA-N
MW342.40 g/mol
LogP2.27
Rot. Bonds5

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

2-[(4-methoxy-3-methylphenyl)sulfonylamino]-4-methyl-1,3-thiazole-5-carboxylic acid (PubChem CID 28690712) has the molecular formula C13H14N2O5S2 and a molecular weight of 342.40 g/mol. Its IUPAC name is 2-[(4-methoxy-3-methylphenyl)sulfonylamino]-4-methyl-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name2-[(4-methoxy-3-methylphenyl)sulfonylamino]-4-methyl-1,3-thiazole-5-carboxylic acid
PubChem CID28690712
Molecular FormulaC13H14N2O5S2
Molecular Weight342.40 g/mol
Exact Mass342.03
IUPAC Name2-[(4-methoxy-3-methylphenyl)sulfonylamino]-4-methyl-1,3-thiazole-5-carboxylic acid
SMILESCOc1ccc(S(=O)(=O)Nc2nc(C)c(C(=O)O)s2)cc1C
InChIInChI=1S/C13H14N2O5S2/c1-7-6-9(4-5-10(7)20-3)22(18,19)15-13-14-8(2)11(21-13)12(16)17/h4-6H,1-3H3,(H,14,15)(H,16,17)
InChIKeyKLNRYXSFPCJVNU-UHFFFAOYSA-N
XLogP2.27
TPSA105.59 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-methoxy-3-methylphenyl)-2-[(4-methoxyphenyl)sulfonylamino]-4-methyl-1,3-thiazole-5-carboxamide
CID 16945038
2-(benzenesulfonamido)-4-methyl-1,3-thiazole-5-carboxylic acid
CID 20983476
4-methoxy-N-[6-[(4-methoxy-3-methylphenyl)sulfonylamino]-2-pyridinyl]-3-methylbenzenesulfonamide
CID 71671343
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-methyl-2-[(4-methylphenyl)sulfonylamino]-1,3-thiazole-5-carboxamide
CID 16944828
N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-4-methylbenzenesulfonamide
CID 709425
N-[2-(dimethylamino)-4,6-dimethylpyrimidin-5-yl]-4-methoxy-3-methylbenzenesulfonamide
CID 91968536
2-[(4-methoxyphenyl)sulfonylamino]-4-methyl-N-propyl-1,3-thiazole-5-carboxamide
CID 16944943
4-methoxy-3-methyl-N-(4-oxo-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-c]azepin-2-yl)benzenesulfonamide
CID 90625592
N-[(2-methoxyphenyl)methyl]-2-[(4-methoxyphenyl)sulfonylamino]-4-methyl-1,3-thiazole-5-carboxamide
CID 16944961
4-methyl-2-[(4-methylphenyl)sulfonylamino]-N-propan-2-yl-1,3-thiazole-5-carboxamide
CID 16944802
N-(4,6-dimethyl-2-phenoxypyrimidin-5-yl)-4-methoxy-3-methylbenzenesulfonamide
CID 122303666
N-(3-acetamidophenyl)-2-[(4-methoxyphenyl)sulfonylamino]-4-methyl-1,3-thiazole-5-carboxamide
CID 16945056

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methoxy-3-methylphenyl)sulfonylamino]-4-methyl-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 2-[(4-methoxy-3-methylphenyl)sulfonylamino]-4-methyl-1,3-thiazole-5-carboxylic acid (CID 28690712) is 2-[(4-methoxy-3-methylphenyl)sulfonylamino]-4-methyl-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 2-[(4-methoxy-3-methylphenyl)sulfonylamino]-4-methyl-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 2-[(4-methoxy-3-methylphenyl)sulfonylamino]-4-methyl-1,3-thiazole-5-carboxylic acid is COc1ccc(S(=O)(=O)Nc2nc(C)c(C(=O)O)s2)cc1C.
What is the InChIKey of 2-[(4-methoxy-3-methylphenyl)sulfonylamino]-4-methyl-1,3-thiazole-5-carboxylic acid?
The InChIKey is KLNRYXSFPCJVNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O5S2/c1-7-6-9(4-5-10(7)20-3)22(18,19)15-13-14-8(2)11(21-13)12(16)17/h4-6H,1-3H3,(H,14,15)(H,16,17).
What are the key properties of 2-[(4-methoxy-3-methylphenyl)sulfonylamino]-4-methyl-1,3-thiazole-5-carboxylic acid?
2-[(4-methoxy-3-methylphenyl)sulfonylamino]-4-methyl-1,3-thiazole-5-carboxylic acid has a molecular weight of 342.40 g/mol, XLogP of 2.27, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methoxy-3-methylphenyl)sulfonylamino]-4-methyl-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 28690712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).