4-[(4-ethylsulfonylanilino)methyl]-3H-1,3-thiazol-2-one

C12H14N2O3S2 — CID 106381991

IUPAC4-[(4-ethylsulfonylanilino)methyl]-3H-1,3-thiazol-2-one
SMILESCCS(=O)(=O)c1ccc(NCc2csc(=O)[nH]2)cc1
InChIInChI=1S/C12H14N2O3S2/c1-2-19(16,17)11-5-3-9(4-6-11)13-7-10-8-18-12(15)14-10/h3-6,8,13H,2,7H2,1H3,(H,14,15)
InChIKeyGKTQSEYLRIHFHO-UHFFFAOYSA-N
MW298.39 g/mol
LogP1.84
Rot. Bonds5

About 4-[(4-ethylsulfonylanilino)methyl]-3H-1,3-thiazol-2-one

4-[(4-ethylsulfonylanilino)methyl]-3H-1,3-thiazol-2-one (PubChem CID 106381991) has the molecular formula C12H14N2O3S2 and a molecular weight of 298.39 g/mol. Its IUPAC name is 4-[(4-ethylsulfonylanilino)methyl]-3H-1,3-thiazol-2-one.

Molecular Properties

Compound Name4-[(4-ethylsulfonylanilino)methyl]-3H-1,3-thiazol-2-one
PubChem CID106381991
Molecular FormulaC12H14N2O3S2
Molecular Weight298.39 g/mol
Exact Mass298.04
IUPAC Name4-[(4-ethylsulfonylanilino)methyl]-3H-1,3-thiazol-2-one
SMILESCCS(=O)(=O)c1ccc(NCc2csc(=O)[nH]2)cc1
InChIInChI=1S/C12H14N2O3S2/c1-2-19(16,17)11-5-3-9(4-6-11)13-7-10-8-18-12(15)14-10/h3-6,8,13H,2,7H2,1H3,(H,14,15)
InChIKeyGKTQSEYLRIHFHO-UHFFFAOYSA-N
XLogP1.84
TPSA79.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-[(4-ethylsulfonylanilino)methyl]-3H-1,3-thiazol-2-one 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-cyclopropyl-4-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]benzenesulfonamide
CID 106382169
4-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]benzenecarbothioamide
CID 106381505
4-[(3-ethoxy-4-nitroanilino)methyl]-3H-1,3-thiazol-2-one
CID 106381995
4-amino-N-ethyl-3-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]benzenesulfonamide
CID 106379435
4-ethylsulfonyl-N-[(4-fluorophenyl)methyl]aniline
CID 43453369
N-[(5-bromothiophen-2-yl)methyl]-4-ethylsulfonylaniline
CID 43689671
4-[(4-methylsulfonyl-2-nitroanilino)methyl]-3H-1,3-thiazol-2-one
CID 103775116
2-[(4-ethylsulfonylanilino)methyl]thiophen-3-amine
CID 66385944
4-ethylsulfonyl-N-(2-methylpropyl)aniline
CID 43453340
N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-6-(propylamino)pyridine-3-sulfonamide
CID 106383315
4-ethylsulfonyl-N-[(5-nitrothiophen-3-yl)methyl]aniline
CID 60811018
4-ethylsulfonyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]aniline
CID 103895801

Frequently Asked Questions

What is the IUPAC name of 4-[(4-ethylsulfonylanilino)methyl]-3H-1,3-thiazol-2-one?
The IUPAC name of 4-[(4-ethylsulfonylanilino)methyl]-3H-1,3-thiazol-2-one (CID 106381991) is 4-[(4-ethylsulfonylanilino)methyl]-3H-1,3-thiazol-2-one.
What is the SMILES notation for 4-[(4-ethylsulfonylanilino)methyl]-3H-1,3-thiazol-2-one?
The canonical SMILES for 4-[(4-ethylsulfonylanilino)methyl]-3H-1,3-thiazol-2-one is CCS(=O)(=O)c1ccc(NCc2csc(=O)[nH]2)cc1.
What is the InChIKey of 4-[(4-ethylsulfonylanilino)methyl]-3H-1,3-thiazol-2-one?
The InChIKey is GKTQSEYLRIHFHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O3S2/c1-2-19(16,17)11-5-3-9(4-6-11)13-7-10-8-18-12(15)14-10/h3-6,8,13H,2,7H2,1H3,(H,14,15).
What are the key properties of 4-[(4-ethylsulfonylanilino)methyl]-3H-1,3-thiazol-2-one?
4-[(4-ethylsulfonylanilino)methyl]-3H-1,3-thiazol-2-one has a molecular weight of 298.39 g/mol, XLogP of 1.84, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-ethylsulfonylanilino)methyl]-3H-1,3-thiazol-2-one is sourced from PubChem (CID 106381991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).