4-(4-methoxyphenyl)-5-methyl-N-phenyl-3-(2-phenylethyl)-1,3-thiazol-2-imine

C25H24N2OS — CID 138393000

IUPAC4-(4-methoxyphenyl)-5-methyl-N-phenyl-3-(2-phenylethyl)-1,3-thiazol-2-imine
SMILESCOc1ccc(-c2c(C)s/c(=N\c3ccccc3)n2CCc2ccccc2)cc1
InChIInChI=1S/C25H24N2OS/c1-19-24(21-13-15-23(28-2)16-14-21)27(18-17-20-9-5-3-6-10-20)25(29-19)26-22-11-7-4-8-12-22/h3-16H,17-18H2,1-2H3/b26-25-
InChIKeyPXIPHVPPKHRTMX-QPLCGJKRSA-N
MW400.55 g/mol
LogP6.01
Rot. Bonds6

About 4-(4-methoxyphenyl)-5-methyl-N-phenyl-3-(2-phenylethyl)-1,3-thiazol-2-imine

4-(4-methoxyphenyl)-5-methyl-N-phenyl-3-(2-phenylethyl)-1,3-thiazol-2-imine (PubChem CID 138393000) has the molecular formula C25H24N2OS and a molecular weight of 400.55 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)-5-methyl-N-phenyl-3-(2-phenylethyl)-1,3-thiazol-2-imine.

Molecular Properties

Compound Name4-(4-methoxyphenyl)-5-methyl-N-phenyl-3-(2-phenylethyl)-1,3-thiazol-2-imine
PubChem CID138393000
Molecular FormulaC25H24N2OS
Molecular Weight400.55 g/mol
Exact Mass400.16
IUPAC Name4-(4-methoxyphenyl)-5-methyl-N-phenyl-3-(2-phenylethyl)-1,3-thiazol-2-imine
SMILESCOc1ccc(-c2c(C)s/c(=N\c3ccccc3)n2CCc2ccccc2)cc1
InChIInChI=1S/C25H24N2OS/c1-19-24(21-13-15-23(28-2)16-14-21)27(18-17-20-9-5-3-6-10-20)25(29-19)26-22-11-7-4-8-12-22/h3-16H,17-18H2,1-2H3/b26-25-
InChIKeyPXIPHVPPKHRTMX-QPLCGJKRSA-N
XLogP6.01
TPSA26.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.55
LogP ≤ 56.01
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

N-(4-ethylphenyl)-4-(4-methoxyphenyl)-5-methyl-3-(2-phenylethyl)-1,3-thiazol-2-imine
CID 138392904
4-(4-methoxyphenyl)-5-methyl-N-(2-methylphenyl)-3-(2-phenylethyl)-1,3-thiazol-2-imine
CID 138392953
N-[3-[2-(4-methoxyphenyl)ethyl]-4-(4-methylphenyl)-2-phenylimino-1,3-thiazol-5-yl]benzamide
CID 51064788
4-(4-methoxyphenyl)-5-methyl-N,3-diphenyl-1,3-thiazol-2-imine bromide
CID 21180197
3-benzyl-N-(4-methoxyphenyl)-4-(4-methylphenyl)-1,3-thiazol-2-imine;hydrobromide
CID 163332770
N-(4-methoxyphenyl)-3-(2-phenylethyl)-4-(4-piperidin-1-ylsulfonylphenyl)-1,3-thiazol-2-imine
CID 18812740
1-[2-(4-methoxyphenyl)ethyl]-2-methylindole
CID 65444625
1-[2-(4-ethylphenyl)imino-4-methyl-3-(2-phenylethyl)-1,3-thiazol-5-yl]ethanone
CID 138392880
1-[2-(4-chlorophenyl)imino-4-methyl-3-(2-phenylethyl)-1,3-thiazol-5-yl]ethanone
CID 138392977
3-[2-(cyclohexen-1-yl)ethyl]-4-(4-methoxyphenyl)-N-phenyl-1,3-thiazol-2-imine;hydrobromide
CID 17365720
4-(4-bromophenyl)-N-(4-fluorophenyl)-3-[2-(4-methoxyphenyl)ethyl]-1,3-thiazol-2-imine
CID 3970172
3-[2-(4-methoxyphenoxy)ethylsulfanyl]-5-(4-methoxyphenyl)-4-(2-phenylethyl)-1,2,4-triazole
CID 2436171

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenyl)-5-methyl-N-phenyl-3-(2-phenylethyl)-1,3-thiazol-2-imine?
The IUPAC name of 4-(4-methoxyphenyl)-5-methyl-N-phenyl-3-(2-phenylethyl)-1,3-thiazol-2-imine (CID 138393000) is 4-(4-methoxyphenyl)-5-methyl-N-phenyl-3-(2-phenylethyl)-1,3-thiazol-2-imine.
What is the SMILES notation for 4-(4-methoxyphenyl)-5-methyl-N-phenyl-3-(2-phenylethyl)-1,3-thiazol-2-imine?
The canonical SMILES for 4-(4-methoxyphenyl)-5-methyl-N-phenyl-3-(2-phenylethyl)-1,3-thiazol-2-imine is COc1ccc(-c2c(C)s/c(=N\c3ccccc3)n2CCc2ccccc2)cc1.
What is the InChIKey of 4-(4-methoxyphenyl)-5-methyl-N-phenyl-3-(2-phenylethyl)-1,3-thiazol-2-imine?
The InChIKey is PXIPHVPPKHRTMX-QPLCGJKRSA-N. The full InChI is InChI=1S/C25H24N2OS/c1-19-24(21-13-15-23(28-2)16-14-21)27(18-17-20-9-5-3-6-10-20)25(29-19)26-22-11-7-4-8-12-22/h3-16H,17-18H2,1-2H3/b26-25-.
What are the key properties of 4-(4-methoxyphenyl)-5-methyl-N-phenyl-3-(2-phenylethyl)-1,3-thiazol-2-imine?
4-(4-methoxyphenyl)-5-methyl-N-phenyl-3-(2-phenylethyl)-1,3-thiazol-2-imine has a molecular weight of 400.55 g/mol, XLogP of 6.01, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenyl)-5-methyl-N-phenyl-3-(2-phenylethyl)-1,3-thiazol-2-imine is sourced from PubChem (CID 138393000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).