2-[(4-tert-butylphenyl)sulfonylamino]-1,3-thiazole-4-carboxylic acid

C14H16N2O4S2 — CID 28858371

IUPAC2-[(4-tert-butylphenyl)sulfonylamino]-1,3-thiazole-4-carboxylic acid
SMILESCC(C)(C)c1ccc(S(=O)(=O)Nc2nc(C(=O)O)cs2)cc1
InChIInChI=1S/C14H16N2O4S2/c1-14(2,3)9-4-6-10(7-5-9)22(19,20)16-13-15-11(8-21-13)12(17)18/h4-8H,1-3H3,(H,15,16)(H,17,18)
InChIKeyJNPPXQHZVAXVDR-UHFFFAOYSA-N
MW340.43 g/mol
LogP2.94
Rot. Bonds4

About 2-[(4-tert-butylphenyl)sulfonylamino]-1,3-thiazole-4-carboxylic acid

2-[(4-tert-butylphenyl)sulfonylamino]-1,3-thiazole-4-carboxylic acid (PubChem CID 28858371) has the molecular formula C14H16N2O4S2 and a molecular weight of 340.43 g/mol. Its IUPAC name is 2-[(4-tert-butylphenyl)sulfonylamino]-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-[(4-tert-butylphenyl)sulfonylamino]-1,3-thiazole-4-carboxylic acid
PubChem CID28858371
Molecular FormulaC14H16N2O4S2
Molecular Weight340.43 g/mol
Exact Mass340.06
IUPAC Name2-[(4-tert-butylphenyl)sulfonylamino]-1,3-thiazole-4-carboxylic acid
SMILESCC(C)(C)c1ccc(S(=O)(=O)Nc2nc(C(=O)O)cs2)cc1
InChIInChI=1S/C14H16N2O4S2/c1-14(2,3)9-4-6-10(7-5-9)22(19,20)16-13-15-11(8-21-13)12(17)18/h4-8H,1-3H3,(H,15,16)(H,17,18)
InChIKeyJNPPXQHZVAXVDR-UHFFFAOYSA-N
XLogP2.94
TPSA96.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(4-nitrophenyl)sulfonylamino]-1,3-thiazole-4-carboxylic acid
CID 121215679
2-(4-tert-butylanilino)-1,3-thiazole-4-carboxylic acid
CID 79023863
N-(4-methyl-1,3-thiazol-2-yl)-4-(trifluoromethyl)benzenesulfonamide
CID 74227200
4-hydroxy-N-(4-methyl-1,3-thiazol-2-yl)benzenesulfonamide
CID 43135540
N-(4-tert-butyl-1,3-thiazol-2-yl)-6-oxo-1H-pyridine-3-sulfonamide
CID 61499926
N-(4-acetyl-1,3-thiazol-2-yl)-6-chloropyridine-3-sulfonamide
CID 62997780
N-[(4-methoxyphenyl)methyl]-2-[(4-methoxyphenyl)sulfonylamino]-1,3-thiazole-4-carboxamide
CID 42109088
2-[(4-methoxyphenyl)sulfonylamino]-N-(2-methylpropyl)-1,3-thiazole-4-carboxamide
CID 25405503
2-[(4-tert-butylphenyl)carbamoyl]-1,3-thiazole-4-carboxylic acid
CID 116696532
N-(4-tert-butyl-1,3-thiazol-2-yl)-2-hydroxybenzenesulfonamide
CID 81241206
N-(4-acetyl-1,3-thiazol-2-yl)-2,3-dihydro-1H-indene-5-sulfonamide
CID 62998514
2-[2-[(4-methylsulfonylphenyl)sulfonylamino]-1,3-thiazol-4-yl]acetic acid
CID 87546649

Frequently Asked Questions

What is the IUPAC name of 2-[(4-tert-butylphenyl)sulfonylamino]-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 2-[(4-tert-butylphenyl)sulfonylamino]-1,3-thiazole-4-carboxylic acid (CID 28858371) is 2-[(4-tert-butylphenyl)sulfonylamino]-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 2-[(4-tert-butylphenyl)sulfonylamino]-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 2-[(4-tert-butylphenyl)sulfonylamino]-1,3-thiazole-4-carboxylic acid is CC(C)(C)c1ccc(S(=O)(=O)Nc2nc(C(=O)O)cs2)cc1.
What is the InChIKey of 2-[(4-tert-butylphenyl)sulfonylamino]-1,3-thiazole-4-carboxylic acid?
The InChIKey is JNPPXQHZVAXVDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O4S2/c1-14(2,3)9-4-6-10(7-5-9)22(19,20)16-13-15-11(8-21-13)12(17)18/h4-8H,1-3H3,(H,15,16)(H,17,18).
What are the key properties of 2-[(4-tert-butylphenyl)sulfonylamino]-1,3-thiazole-4-carboxylic acid?
2-[(4-tert-butylphenyl)sulfonylamino]-1,3-thiazole-4-carboxylic acid has a molecular weight of 340.43 g/mol, XLogP of 2.94, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-tert-butylphenyl)sulfonylamino]-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 28858371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).