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

C26H26N2OS — CID 138392953

IUPAC4-(4-methoxyphenyl)-5-methyl-N-(2-methylphenyl)-3-(2-phenylethyl)-1,3-thiazol-2-imine
SMILESCOc1ccc(-c2c(C)s/c(=N\c3ccccc3C)n2CCc2ccccc2)cc1
InChIInChI=1S/C26H26N2OS/c1-19-9-7-8-12-24(19)27-26-28(18-17-21-10-5-4-6-11-21)25(20(2)30-26)22-13-15-23(29-3)16-14-22/h4-16H,17-18H2,1-3H3/b27-26-
InChIKeyZTOBJXOAZPKBNO-RQZHXJHFSA-N
MW414.57 g/mol
LogP6.32
Rot. Bonds6

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

4-(4-methoxyphenyl)-5-methyl-N-(2-methylphenyl)-3-(2-phenylethyl)-1,3-thiazol-2-imine (PubChem CID 138392953) has the molecular formula C26H26N2OS and a molecular weight of 414.57 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)-5-methyl-N-(2-methylphenyl)-3-(2-phenylethyl)-1,3-thiazol-2-imine.

Molecular Properties

Compound Name4-(4-methoxyphenyl)-5-methyl-N-(2-methylphenyl)-3-(2-phenylethyl)-1,3-thiazol-2-imine
PubChem CID138392953
Molecular FormulaC26H26N2OS
Molecular Weight414.57 g/mol
Exact Mass414.18
IUPAC Name4-(4-methoxyphenyl)-5-methyl-N-(2-methylphenyl)-3-(2-phenylethyl)-1,3-thiazol-2-imine
SMILESCOc1ccc(-c2c(C)s/c(=N\c3ccccc3C)n2CCc2ccccc2)cc1
InChIInChI=1S/C26H26N2OS/c1-19-9-7-8-12-24(19)27-26-28(18-17-21-10-5-4-6-11-21)25(20(2)30-26)22-13-15-23(29-3)16-14-22/h4-16H,17-18H2,1-3H3/b27-26-
InChIKeyZTOBJXOAZPKBNO-RQZHXJHFSA-N
XLogP6.32
TPSA26.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.57
LogP ≤ 56.32
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

4-(4-methoxyphenyl)-5-methyl-N-phenyl-3-(2-phenylethyl)-1,3-thiazol-2-imine
CID 138393000
N-(4-ethylphenyl)-4-(4-methoxyphenyl)-5-methyl-3-(2-phenylethyl)-1,3-thiazol-2-imine
CID 138392904
N-(2-methylphenyl)-4-(4-methylphenyl)-3-(2-phenylethyl)-1,3-thiazol-2-imine
CID 138392955
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
4-(4-methoxyphenyl)-N,3,5-trimethyl-1,3-thiazol-2-imine
CID 31060825
1-[2-(4-methoxyphenyl)ethyl]-2-methylindole
CID 65444625
3-[2-(4-methoxyphenoxy)ethylsulfanyl]-5-(4-methoxyphenyl)-4-(2-phenylethyl)-1,2,4-triazole
CID 2436171
3-[2-(4-methoxyphenyl)ethyl]-2-(4-phenylphenyl)quinazolin-4-one
CID 17035993
4-(5-chlorothiophen-2-yl)-3-[2-(4-methoxyphenyl)ethyl]-N-naphthalen-1-yl-1,3-thiazol-2-imine;hydrobromide
CID 17389216
3-(3-aminopropyl)-4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-one
CID 82027895
1-methoxy-4-(4-phenylbutyl)benzene
CID 15647797

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenyl)-5-methyl-N-(2-methylphenyl)-3-(2-phenylethyl)-1,3-thiazol-2-imine?
The IUPAC name of 4-(4-methoxyphenyl)-5-methyl-N-(2-methylphenyl)-3-(2-phenylethyl)-1,3-thiazol-2-imine (CID 138392953) is 4-(4-methoxyphenyl)-5-methyl-N-(2-methylphenyl)-3-(2-phenylethyl)-1,3-thiazol-2-imine.
What is the SMILES notation for 4-(4-methoxyphenyl)-5-methyl-N-(2-methylphenyl)-3-(2-phenylethyl)-1,3-thiazol-2-imine?
The canonical SMILES for 4-(4-methoxyphenyl)-5-methyl-N-(2-methylphenyl)-3-(2-phenylethyl)-1,3-thiazol-2-imine is COc1ccc(-c2c(C)s/c(=N\c3ccccc3C)n2CCc2ccccc2)cc1.
What is the InChIKey of 4-(4-methoxyphenyl)-5-methyl-N-(2-methylphenyl)-3-(2-phenylethyl)-1,3-thiazol-2-imine?
The InChIKey is ZTOBJXOAZPKBNO-RQZHXJHFSA-N. The full InChI is InChI=1S/C26H26N2OS/c1-19-9-7-8-12-24(19)27-26-28(18-17-21-10-5-4-6-11-21)25(20(2)30-26)22-13-15-23(29-3)16-14-22/h4-16H,17-18H2,1-3H3/b27-26-.
What are the key properties of 4-(4-methoxyphenyl)-5-methyl-N-(2-methylphenyl)-3-(2-phenylethyl)-1,3-thiazol-2-imine?
4-(4-methoxyphenyl)-5-methyl-N-(2-methylphenyl)-3-(2-phenylethyl)-1,3-thiazol-2-imine has a molecular weight of 414.57 g/mol, XLogP of 6.32, 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-(2-methylphenyl)-3-(2-phenylethyl)-1,3-thiazol-2-imine is sourced from PubChem (CID 138392953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).