4-(4-methoxyanilino)-2-methyl-5-phenyl-1,2-thiazol-3-one

C17H16N2O2S — CID 91145565

IUPAC4-(4-methoxyanilino)-2-methyl-5-phenyl-1,2-thiazol-3-one
SMILESCOc1ccc(Nc2c(-c3ccccc3)sn(C)c2=O)cc1
InChIInChI=1S/C17H16N2O2S/c1-19-17(20)15(16(22-19)12-6-4-3-5-7-12)18-13-8-10-14(21-2)11-9-13/h3-11,18H,1-2H3
InChIKeyGAFBIMGVIIRAJL-UHFFFAOYSA-N
MW312.39 g/mol
LogP3.87
Rot. Bonds4

About 4-(4-methoxyanilino)-2-methyl-5-phenyl-1,2-thiazol-3-one

4-(4-methoxyanilino)-2-methyl-5-phenyl-1,2-thiazol-3-one (PubChem CID 91145565) has the molecular formula C17H16N2O2S and a molecular weight of 312.39 g/mol. Its IUPAC name is 4-(4-methoxyanilino)-2-methyl-5-phenyl-1,2-thiazol-3-one.

Molecular Properties

Compound Name4-(4-methoxyanilino)-2-methyl-5-phenyl-1,2-thiazol-3-one
PubChem CID91145565
Molecular FormulaC17H16N2O2S
Molecular Weight312.39 g/mol
Exact Mass312.09
IUPAC Name4-(4-methoxyanilino)-2-methyl-5-phenyl-1,2-thiazol-3-one
SMILESCOc1ccc(Nc2c(-c3ccccc3)sn(C)c2=O)cc1
InChIInChI=1S/C17H16N2O2S/c1-19-17(20)15(16(22-19)12-6-4-3-5-7-12)18-13-8-10-14(21-2)11-9-13/h3-11,18H,1-2H3
InChIKeyGAFBIMGVIIRAJL-UHFFFAOYSA-N
XLogP3.87
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-(4-methoxyanilino)-2-methyl-5-phenyl-1,2-thiazol-3-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-(4-methoxyphenyl)-4-phenylaniline
CID 57004376
N-(4-methoxyphenyl)-1-methyl-4-phenylpyrrol-3-amine
CID 142680391
5-phenyl-4-(4-piperidin-1-ylanilino)-2-propan-2-yl-1,2-thiazol-3-one
CID 91548097
1-butyl-3-(4-methoxyanilino)-4-phenylpyrrole-2,5-dione
CID 69145630
7-(4-methoxyanilino)-2-phenylchromen-4-one
CID 122366467
N-(4-methoxyphenyl)-3-phenylquinolin-4-amine
CID 70695069
2-(4-methoxyanilino)-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one
CID 6626180
N-(4-methoxyphenyl)-1,3-dimethylpyrazolo[3,4-b]quinolin-4-amine
CID 3566059
4-(4-methoxyanilino)-3-nitro-1-phenylquinolin-2-one
CID 23473427
6-(4-methoxyanilino)-2,3-diphenylquinoxaline-5,8-dione
CID 67566873
4-benzyl-N-(4-methoxyphenyl)aniline
CID 175329182
3-(4-methoxyanilino)-2-phenyl-1H-chromeno[4,3-b]pyrrol-4-one
CID 122370928

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyanilino)-2-methyl-5-phenyl-1,2-thiazol-3-one?
The IUPAC name of 4-(4-methoxyanilino)-2-methyl-5-phenyl-1,2-thiazol-3-one (CID 91145565) is 4-(4-methoxyanilino)-2-methyl-5-phenyl-1,2-thiazol-3-one.
What is the SMILES notation for 4-(4-methoxyanilino)-2-methyl-5-phenyl-1,2-thiazol-3-one?
The canonical SMILES for 4-(4-methoxyanilino)-2-methyl-5-phenyl-1,2-thiazol-3-one is COc1ccc(Nc2c(-c3ccccc3)sn(C)c2=O)cc1.
What is the InChIKey of 4-(4-methoxyanilino)-2-methyl-5-phenyl-1,2-thiazol-3-one?
The InChIKey is GAFBIMGVIIRAJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2S/c1-19-17(20)15(16(22-19)12-6-4-3-5-7-12)18-13-8-10-14(21-2)11-9-13/h3-11,18H,1-2H3.
What are the key properties of 4-(4-methoxyanilino)-2-methyl-5-phenyl-1,2-thiazol-3-one?
4-(4-methoxyanilino)-2-methyl-5-phenyl-1,2-thiazol-3-one has a molecular weight of 312.39 g/mol, XLogP of 3.87, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyanilino)-2-methyl-5-phenyl-1,2-thiazol-3-one is sourced from PubChem (CID 91145565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).