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

C27H28N2OS — CID 138392904

IUPACN-(4-ethylphenyl)-4-(4-methoxyphenyl)-5-methyl-3-(2-phenylethyl)-1,3-thiazol-2-imine
SMILESCCc1ccc(/N=c2\sc(C)c(-c3ccc(OC)cc3)n2CCc2ccccc2)cc1
InChIInChI=1S/C27H28N2OS/c1-4-21-10-14-24(15-11-21)28-27-29(19-18-22-8-6-5-7-9-22)26(20(2)31-27)23-12-16-25(30-3)17-13-23/h5-17H,4,18-19H2,1-3H3/b28-27-
InChIKeyPDSILUMGJAXTKQ-DQSJHHFOSA-N
MW428.60 g/mol
LogP6.57
Rot. Bonds7

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

N-(4-ethylphenyl)-4-(4-methoxyphenyl)-5-methyl-3-(2-phenylethyl)-1,3-thiazol-2-imine (PubChem CID 138392904) has the molecular formula C27H28N2OS and a molecular weight of 428.60 g/mol. Its IUPAC name is N-(4-ethylphenyl)-4-(4-methoxyphenyl)-5-methyl-3-(2-phenylethyl)-1,3-thiazol-2-imine.

Molecular Properties

Compound NameN-(4-ethylphenyl)-4-(4-methoxyphenyl)-5-methyl-3-(2-phenylethyl)-1,3-thiazol-2-imine
PubChem CID138392904
Molecular FormulaC27H28N2OS
Molecular Weight428.60 g/mol
Exact Mass428.19
IUPAC NameN-(4-ethylphenyl)-4-(4-methoxyphenyl)-5-methyl-3-(2-phenylethyl)-1,3-thiazol-2-imine
SMILESCCc1ccc(/N=c2\sc(C)c(-c3ccc(OC)cc3)n2CCc2ccccc2)cc1
InChIInChI=1S/C27H28N2OS/c1-4-21-10-14-24(15-11-21)28-27-29(19-18-22-8-6-5-7-9-22)26(20(2)31-27)23-12-16-25(30-3)17-13-23/h5-17H,4,18-19H2,1-3H3/b28-27-
InChIKeyPDSILUMGJAXTKQ-DQSJHHFOSA-N
XLogP6.57
TPSA26.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.60
LogP ≤ 56.57
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
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
1-[2-(4-ethylphenyl)imino-4-methyl-3-(2-phenylethyl)-1,3-thiazol-5-yl]ethanone
CID 138392880
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
4-(4-bromophenyl)-N-(4-fluorophenyl)-3-[2-(4-methoxyphenyl)ethyl]-1,3-thiazol-2-imine
CID 3970172
1-[2-(4-methoxyphenyl)ethyl]-2-methylindole
CID 65444625
1-[2-(4-chlorophenyl)imino-4-methyl-3-(2-phenylethyl)-1,3-thiazol-5-yl]ethanone
CID 138392977
anisole;ethane;ethylbenzene;toluene
CID 91215230
N-(4-methoxyphenyl)-3-pentyl-4-phenyl-1,3-thiazol-2-imine
CID 18812697

Frequently Asked Questions

What is the IUPAC name of N-(4-ethylphenyl)-4-(4-methoxyphenyl)-5-methyl-3-(2-phenylethyl)-1,3-thiazol-2-imine?
The IUPAC name of N-(4-ethylphenyl)-4-(4-methoxyphenyl)-5-methyl-3-(2-phenylethyl)-1,3-thiazol-2-imine (CID 138392904) is N-(4-ethylphenyl)-4-(4-methoxyphenyl)-5-methyl-3-(2-phenylethyl)-1,3-thiazol-2-imine.
What is the SMILES notation for N-(4-ethylphenyl)-4-(4-methoxyphenyl)-5-methyl-3-(2-phenylethyl)-1,3-thiazol-2-imine?
The canonical SMILES for N-(4-ethylphenyl)-4-(4-methoxyphenyl)-5-methyl-3-(2-phenylethyl)-1,3-thiazol-2-imine is CCc1ccc(/N=c2\sc(C)c(-c3ccc(OC)cc3)n2CCc2ccccc2)cc1.
What is the InChIKey of N-(4-ethylphenyl)-4-(4-methoxyphenyl)-5-methyl-3-(2-phenylethyl)-1,3-thiazol-2-imine?
The InChIKey is PDSILUMGJAXTKQ-DQSJHHFOSA-N. The full InChI is InChI=1S/C27H28N2OS/c1-4-21-10-14-24(15-11-21)28-27-29(19-18-22-8-6-5-7-9-22)26(20(2)31-27)23-12-16-25(30-3)17-13-23/h5-17H,4,18-19H2,1-3H3/b28-27-.
What are the key properties of N-(4-ethylphenyl)-4-(4-methoxyphenyl)-5-methyl-3-(2-phenylethyl)-1,3-thiazol-2-imine?
N-(4-ethylphenyl)-4-(4-methoxyphenyl)-5-methyl-3-(2-phenylethyl)-1,3-thiazol-2-imine has a molecular weight of 428.60 g/mol, XLogP of 6.57, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylphenyl)-4-(4-methoxyphenyl)-5-methyl-3-(2-phenylethyl)-1,3-thiazol-2-imine is sourced from PubChem (CID 138392904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).