1-[2-(4-chlorophenyl)imino-4-methyl-3-(2-phenylethyl)-1,3-thiazol-5-yl]ethanone

C20H19ClN2OS — CID 138392977

IUPAC1-[2-(4-chlorophenyl)imino-4-methyl-3-(2-phenylethyl)-1,3-thiazol-5-yl]ethanone
SMILESCC(=O)c1s/c(=N\c2ccc(Cl)cc2)n(CCc2ccccc2)c1C
InChIInChI=1S/C20H19ClN2OS/c1-14-19(15(2)24)25-20(22-18-10-8-17(21)9-11-18)23(14)13-12-16-6-4-3-5-7-16/h3-11H,12-13H2,1-2H3/b22-20-
InChIKeyJBCGZTWVJOYMKZ-XDOYNYLZSA-N
MW370.91 g/mol
LogP5.19
Rot. Bonds5

About 1-[2-(4-chlorophenyl)imino-4-methyl-3-(2-phenylethyl)-1,3-thiazol-5-yl]ethanone

1-[2-(4-chlorophenyl)imino-4-methyl-3-(2-phenylethyl)-1,3-thiazol-5-yl]ethanone (PubChem CID 138392977) has the molecular formula C20H19ClN2OS and a molecular weight of 370.91 g/mol. Its IUPAC name is 1-[2-(4-chlorophenyl)imino-4-methyl-3-(2-phenylethyl)-1,3-thiazol-5-yl]ethanone.

Molecular Properties

Compound Name1-[2-(4-chlorophenyl)imino-4-methyl-3-(2-phenylethyl)-1,3-thiazol-5-yl]ethanone
PubChem CID138392977
Molecular FormulaC20H19ClN2OS
Molecular Weight370.91 g/mol
Exact Mass370.09
IUPAC Name1-[2-(4-chlorophenyl)imino-4-methyl-3-(2-phenylethyl)-1,3-thiazol-5-yl]ethanone
SMILESCC(=O)c1s/c(=N\c2ccc(Cl)cc2)n(CCc2ccccc2)c1C
InChIInChI=1S/C20H19ClN2OS/c1-14-19(15(2)24)25-20(22-18-10-8-17(21)9-11-18)23(14)13-12-16-6-4-3-5-7-16/h3-11H,12-13H2,1-2H3/b22-20-
InChIKeyJBCGZTWVJOYMKZ-XDOYNYLZSA-N
XLogP5.19
TPSA34.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.91
LogP ≤ 55.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiaz_ene_A(128)', 'substructure': 'N/A'}

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Related Compounds

1-[2-(4-ethylphenyl)imino-4-methyl-3-(2-phenylethyl)-1,3-thiazol-5-yl]ethanone
CID 138392880
1-[3-(2-hydroxyethyl)-4-methyl-2-(4-methylphenyl)imino-1,3-thiazol-5-yl]ethanone
CID 16955784
1-[3-(2-hydroxyethyl)-2-(4-methoxyphenyl)imino-4-methyl-1,3-thiazol-5-yl]ethanone
CID 16955781
methyl 3-benzyl-4-methyl-2-phenylimino-1,3-thiazole-5-carboxylate
CID 102501750
1-[3-ethyl-2-(4-imidazol-1-ylphenyl)imino-4-methyl-1,3-thiazol-5-yl]ethanone
CID 25269789
1-[4-[(5-acetyl-3-ethyl-4-methyl-1,3-thiazol-2-ylidene)amino]phenyl]-N,N-dimethylmethanesulfonamide
CID 25270457
1-[3-ethyl-4-methyl-2-(4-pyrrolidin-1-ylphenyl)imino-1,3-thiazol-5-yl]ethanone;hydrochloride
CID 68833067
1-[2-(4-methoxyphenyl)imino-4-methyl-3-(3-morpholin-4-ylpropyl)-1,3-thiazol-5-yl]ethanone
CID 7422610
1-[2-(4-ethoxyphenyl)imino-4-methyl-3-(2,2,2-trifluoroethyl)-1,3-thiazol-5-yl]ethanone
CID 24952217
N-(4-chlorophenyl)-4-(2,4-dichlorophenyl)-3-(2-phenylethyl)-1,3-thiazol-2-imine;hydrobromide
CID 45135464
1-[3-(2-hydroxyethyl)-4-methyl-2-[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]imino-1,3-thiazol-5-yl]ethanone
CID 25271472
1-[2-[[6-(4-fluorophenyl)-3-pyridinyl]imino]-3-(2-hydroxyethyl)-4-methyl-1,3-thiazol-5-yl]ethanone
CID 25266944

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-chlorophenyl)imino-4-methyl-3-(2-phenylethyl)-1,3-thiazol-5-yl]ethanone?
The IUPAC name of 1-[2-(4-chlorophenyl)imino-4-methyl-3-(2-phenylethyl)-1,3-thiazol-5-yl]ethanone (CID 138392977) is 1-[2-(4-chlorophenyl)imino-4-methyl-3-(2-phenylethyl)-1,3-thiazol-5-yl]ethanone.
What is the SMILES notation for 1-[2-(4-chlorophenyl)imino-4-methyl-3-(2-phenylethyl)-1,3-thiazol-5-yl]ethanone?
The canonical SMILES for 1-[2-(4-chlorophenyl)imino-4-methyl-3-(2-phenylethyl)-1,3-thiazol-5-yl]ethanone is CC(=O)c1s/c(=N\c2ccc(Cl)cc2)n(CCc2ccccc2)c1C.
What is the InChIKey of 1-[2-(4-chlorophenyl)imino-4-methyl-3-(2-phenylethyl)-1,3-thiazol-5-yl]ethanone?
The InChIKey is JBCGZTWVJOYMKZ-XDOYNYLZSA-N. The full InChI is InChI=1S/C20H19ClN2OS/c1-14-19(15(2)24)25-20(22-18-10-8-17(21)9-11-18)23(14)13-12-16-6-4-3-5-7-16/h3-11H,12-13H2,1-2H3/b22-20-.
What are the key properties of 1-[2-(4-chlorophenyl)imino-4-methyl-3-(2-phenylethyl)-1,3-thiazol-5-yl]ethanone?
1-[2-(4-chlorophenyl)imino-4-methyl-3-(2-phenylethyl)-1,3-thiazol-5-yl]ethanone has a molecular weight of 370.91 g/mol, XLogP of 5.19, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-chlorophenyl)imino-4-methyl-3-(2-phenylethyl)-1,3-thiazol-5-yl]ethanone is sourced from PubChem (CID 138392977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).