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

C14H16N2O4S2 — CID 101150458

IUPAC2-[(4-methylphenyl)sulfonylamino]-4-propan-2-yl-1,3-thiazole-5-carboxylic acid
SMILESCc1ccc(S(=O)(=O)Nc2nc(C(C)C)c(C(=O)O)s2)cc1
InChIInChI=1S/C14H16N2O4S2/c1-8(2)11-12(13(17)18)21-14(15-11)16-22(19,20)10-6-4-9(3)5-7-10/h4-8H,1-3H3,(H,15,16)(H,17,18)
InChIKeyHGYHNKNAQIYYEW-UHFFFAOYSA-N
MW340.43 g/mol
LogP3.07
Rot. Bonds5

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

2-[(4-methylphenyl)sulfonylamino]-4-propan-2-yl-1,3-thiazole-5-carboxylic acid (PubChem CID 101150458) has the molecular formula C14H16N2O4S2 and a molecular weight of 340.43 g/mol. Its IUPAC name is 2-[(4-methylphenyl)sulfonylamino]-4-propan-2-yl-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name2-[(4-methylphenyl)sulfonylamino]-4-propan-2-yl-1,3-thiazole-5-carboxylic acid
PubChem CID101150458
Molecular FormulaC14H16N2O4S2
Molecular Weight340.43 g/mol
Exact Mass340.06
IUPAC Name2-[(4-methylphenyl)sulfonylamino]-4-propan-2-yl-1,3-thiazole-5-carboxylic acid
SMILESCc1ccc(S(=O)(=O)Nc2nc(C(C)C)c(C(=O)O)s2)cc1
InChIInChI=1S/C14H16N2O4S2/c1-8(2)11-12(13(17)18)21-14(15-11)16-22(19,20)10-6-4-9(3)5-7-10/h4-8H,1-3H3,(H,15,16)(H,17,18)
InChIKeyHGYHNKNAQIYYEW-UHFFFAOYSA-N
XLogP3.07
TPSA96.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-methyl-2-[(4-methylphenyl)sulfonylamino]-N-propan-2-yl-1,3-thiazole-5-carboxamide
CID 16944802
N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-4-methylbenzenesulfonamide
CID 709425
4-methyl-2-[(4-methylphenyl)sulfonylamino]-N-(2-methylpropyl)-1,3-thiazole-5-carboxamide
CID 16944803
2-(benzenesulfonamido)-4-methyl-1,3-thiazole-5-carboxylic acid
CID 20983476
3-methyl-5-[(4-methylphenyl)sulfonylamino]thiophene-2,4-dicarboxylic acid
CID 19349749
N-[(4-fluorophenyl)methyl]-4-methyl-2-[(4-methylphenyl)sulfonylamino]-1,3-thiazole-5-carboxamide
CID 16944816
N,N-dibutyl-4-methyl-2-[(4-methylphenyl)sulfonylamino]-1,3-thiazole-5-carboxamide
CID 16944777
3-methyl-5-[(4-methylphenyl)sulfonylamino]thiophene-2-carboxylic acid
CID 16771942
3-[(4-methylphenyl)sulfonylamino]thiophene-2-carboxylic acid
CID 16771674
methyl 4-cyclobutyl-2-[(4-methylphenyl)sulfonylamino]-1,3-thiazole-5-carboxylate
CID 141488366
methyl 4-(1-methylcyclopropyl)-2-[(4-methylphenyl)sulfonylamino]-1,3-thiazole-5-carboxylate
CID 141488377
3-methyl-5-[(4-methylphenyl)sulfonylamino]-1,2-thiazole-4-carboxylic acid
CID 60868846

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methylphenyl)sulfonylamino]-4-propan-2-yl-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 2-[(4-methylphenyl)sulfonylamino]-4-propan-2-yl-1,3-thiazole-5-carboxylic acid (CID 101150458) is 2-[(4-methylphenyl)sulfonylamino]-4-propan-2-yl-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 2-[(4-methylphenyl)sulfonylamino]-4-propan-2-yl-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 2-[(4-methylphenyl)sulfonylamino]-4-propan-2-yl-1,3-thiazole-5-carboxylic acid is Cc1ccc(S(=O)(=O)Nc2nc(C(C)C)c(C(=O)O)s2)cc1.
What is the InChIKey of 2-[(4-methylphenyl)sulfonylamino]-4-propan-2-yl-1,3-thiazole-5-carboxylic acid?
The InChIKey is HGYHNKNAQIYYEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O4S2/c1-8(2)11-12(13(17)18)21-14(15-11)16-22(19,20)10-6-4-9(3)5-7-10/h4-8H,1-3H3,(H,15,16)(H,17,18).
What are the key properties of 2-[(4-methylphenyl)sulfonylamino]-4-propan-2-yl-1,3-thiazole-5-carboxylic acid?
2-[(4-methylphenyl)sulfonylamino]-4-propan-2-yl-1,3-thiazole-5-carboxylic acid has a molecular weight of 340.43 g/mol, XLogP of 3.07, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methylphenyl)sulfonylamino]-4-propan-2-yl-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 101150458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).