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

C22H24N2OS — CID 138392880

IUPAC1-[2-(4-ethylphenyl)imino-4-methyl-3-(2-phenylethyl)-1,3-thiazol-5-yl]ethanone
SMILESCCc1ccc(/N=c2\sc(C(C)=O)c(C)n2CCc2ccccc2)cc1
InChIInChI=1S/C22H24N2OS/c1-4-18-10-12-20(13-11-18)23-22-24(16(2)21(26-22)17(3)25)15-14-19-8-6-5-7-9-19/h5-13H,4,14-15H2,1-3H3/b23-22-
InChIKeyXAOLYDLFALRMES-FCQUAONHSA-N
MW364.51 g/mol
LogP5.10
Rot. Bonds6

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

1-[2-(4-ethylphenyl)imino-4-methyl-3-(2-phenylethyl)-1,3-thiazol-5-yl]ethanone (PubChem CID 138392880) has the molecular formula C22H24N2OS and a molecular weight of 364.51 g/mol. Its IUPAC name is 1-[2-(4-ethylphenyl)imino-4-methyl-3-(2-phenylethyl)-1,3-thiazol-5-yl]ethanone.

Molecular Properties

Compound Name1-[2-(4-ethylphenyl)imino-4-methyl-3-(2-phenylethyl)-1,3-thiazol-5-yl]ethanone
PubChem CID138392880
Molecular FormulaC22H24N2OS
Molecular Weight364.51 g/mol
Exact Mass364.16
IUPAC Name1-[2-(4-ethylphenyl)imino-4-methyl-3-(2-phenylethyl)-1,3-thiazol-5-yl]ethanone
SMILESCCc1ccc(/N=c2\sc(C(C)=O)c(C)n2CCc2ccccc2)cc1
InChIInChI=1S/C22H24N2OS/c1-4-18-10-12-20(13-11-18)23-22-24(16(2)21(26-22)17(3)25)15-14-19-8-6-5-7-9-19/h5-13H,4,14-15H2,1-3H3/b23-22-
InChIKeyXAOLYDLFALRMES-FCQUAONHSA-N
XLogP5.10
TPSA34.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.51
LogP ≤ 55.10
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-chlorophenyl)imino-4-methyl-3-(2-phenylethyl)-1,3-thiazol-5-yl]ethanone
CID 138392977
1-[2-(4-ethylphenyl)imino-4-methyl-3-(2,2,2-trifluoroethyl)-1,3-thiazol-5-yl]ethanone
CID 24952216
1-[3-(2-hydroxyethyl)-4-methyl-2-(4-methylphenyl)imino-1,3-thiazol-5-yl]ethanone
CID 16955784
N-(4-ethylphenyl)-4-(4-methoxyphenyl)-5-methyl-3-(2-phenylethyl)-1,3-thiazol-2-imine
CID 138392904
1-[3-(2-hydroxyethyl)-2-(4-methoxyphenyl)imino-4-methyl-1,3-thiazol-5-yl]ethanone
CID 16955781
[4-[(5-acetyl-3-ethyl-4-methyl-1,3-thiazol-2-ylidene)amino]phenyl]methyl-tert-butylcarbamic acid
CID 68863013
methyl 3-benzyl-4-methyl-2-phenylimino-1,3-thiazole-5-carboxylate
CID 102501750
1-[4-[(5-acetyl-3-ethyl-4-methyl-1,3-thiazol-2-ylidene)amino]phenyl]-N,N-dimethylmethanesulfonamide
CID 25270457
1-[3-ethyl-2-(4-imidazol-1-ylphenyl)imino-4-methyl-1,3-thiazol-5-yl]ethanone
CID 25269789
1-[3-ethyl-4-methyl-2-[4-(trifluoromethyl)phenyl]imino-1,3-thiazol-5-yl]ethanone;hydrochloride
CID 68835223
1-[3-ethyl-4-methyl-2-(4-pyrrolidin-1-ylphenyl)imino-1,3-thiazol-5-yl]ethanone;hydrochloride
CID 68833067
1-[2-(4-ethoxyphenyl)imino-4-methyl-3-(2,2,2-trifluoroethyl)-1,3-thiazol-5-yl]ethanone
CID 24952217

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-ethylphenyl)imino-4-methyl-3-(2-phenylethyl)-1,3-thiazol-5-yl]ethanone?
The IUPAC name of 1-[2-(4-ethylphenyl)imino-4-methyl-3-(2-phenylethyl)-1,3-thiazol-5-yl]ethanone (CID 138392880) is 1-[2-(4-ethylphenyl)imino-4-methyl-3-(2-phenylethyl)-1,3-thiazol-5-yl]ethanone.
What is the SMILES notation for 1-[2-(4-ethylphenyl)imino-4-methyl-3-(2-phenylethyl)-1,3-thiazol-5-yl]ethanone?
The canonical SMILES for 1-[2-(4-ethylphenyl)imino-4-methyl-3-(2-phenylethyl)-1,3-thiazol-5-yl]ethanone is CCc1ccc(/N=c2\sc(C(C)=O)c(C)n2CCc2ccccc2)cc1.
What is the InChIKey of 1-[2-(4-ethylphenyl)imino-4-methyl-3-(2-phenylethyl)-1,3-thiazol-5-yl]ethanone?
The InChIKey is XAOLYDLFALRMES-FCQUAONHSA-N. The full InChI is InChI=1S/C22H24N2OS/c1-4-18-10-12-20(13-11-18)23-22-24(16(2)21(26-22)17(3)25)15-14-19-8-6-5-7-9-19/h5-13H,4,14-15H2,1-3H3/b23-22-.
What are the key properties of 1-[2-(4-ethylphenyl)imino-4-methyl-3-(2-phenylethyl)-1,3-thiazol-5-yl]ethanone?
1-[2-(4-ethylphenyl)imino-4-methyl-3-(2-phenylethyl)-1,3-thiazol-5-yl]ethanone has a molecular weight of 364.51 g/mol, XLogP of 5.10, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-ethylphenyl)imino-4-methyl-3-(2-phenylethyl)-1,3-thiazol-5-yl]ethanone is sourced from PubChem (CID 138392880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).