N-(4-tert-butylphenyl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide

C14H18N2O3S2 — CID 60712816

IUPACN-(4-tert-butylphenyl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
SMILESCc1[nH]c(=O)sc1S(=O)(=O)Nc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C14H18N2O3S2/c1-9-12(20-13(17)15-9)21(18,19)16-11-7-5-10(6-8-11)14(2,3)4/h5-8,16H,1-4H3,(H,15,17)
InChIKeyYCZDQRBJJSBGRS-UHFFFAOYSA-N
MW326.44 g/mol
LogP2.84
Rot. Bonds3

About N-(4-tert-butylphenyl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide

N-(4-tert-butylphenyl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide (PubChem CID 60712816) has the molecular formula C14H18N2O3S2 and a molecular weight of 326.44 g/mol. Its IUPAC name is N-(4-tert-butylphenyl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound NameN-(4-tert-butylphenyl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
PubChem CID60712816
Molecular FormulaC14H18N2O3S2
Molecular Weight326.44 g/mol
Exact Mass326.08
IUPAC NameN-(4-tert-butylphenyl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
SMILESCc1[nH]c(=O)sc1S(=O)(=O)Nc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C14H18N2O3S2/c1-9-12(20-13(17)15-9)21(18,19)16-11-7-5-10(6-8-11)14(2,3)4/h5-8,16H,1-4H3,(H,15,17)
InChIKeyYCZDQRBJJSBGRS-UHFFFAOYSA-N
XLogP2.84
TPSA79.03 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(4-tert-butylphenyl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-chlorophenyl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
CID 54884085
N-(4-butan-2-ylphenyl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
CID 60712759
N-(3,5-difluorophenyl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
CID 60712773
4-methyl-2-oxo-N-(4-phenylmethoxyphenyl)-3H-1,3-thiazole-5-sulfonamide
CID 113225231
N-tert-butyl-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
CID 60723564
2-chloro-5-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonylamino]benzoic acid
CID 60860714
4-methyl-N-(2-methyl-3H-benzimidazol-5-yl)-2-oxo-3H-1,3-thiazole-5-sulfonamide
CID 61274456
4-methyl-2-oxo-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)-3H-1,3-thiazole-5-sulfonamide
CID 63901970
N-(5-tert-butyl-1H-pyrazol-3-yl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
CID 104619460
N-(3-amino-2,4-dimethylphenyl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
CID 60971346
N-(2-bromophenyl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
CID 60712767
2-[3-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonylamino]phenyl]acetic acid
CID 65345444

Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butylphenyl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide?
The IUPAC name of N-(4-tert-butylphenyl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide (CID 60712816) is N-(4-tert-butylphenyl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for N-(4-tert-butylphenyl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide?
The canonical SMILES for N-(4-tert-butylphenyl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide is Cc1[nH]c(=O)sc1S(=O)(=O)Nc1ccc(C(C)(C)C)cc1.
What is the InChIKey of N-(4-tert-butylphenyl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide?
The InChIKey is YCZDQRBJJSBGRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3S2/c1-9-12(20-13(17)15-9)21(18,19)16-11-7-5-10(6-8-11)14(2,3)4/h5-8,16H,1-4H3,(H,15,17).
What are the key properties of N-(4-tert-butylphenyl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide?
N-(4-tert-butylphenyl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide has a molecular weight of 326.44 g/mol, XLogP of 2.84, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butylphenyl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 60712816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).