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

C25H24N2S — CID 138392955

IUPACN-(2-methylphenyl)-4-(4-methylphenyl)-3-(2-phenylethyl)-1,3-thiazol-2-imine
SMILESCc1ccc(-c2cs/c(=N\c3ccccc3C)n2CCc2ccccc2)cc1
InChIInChI=1S/C25H24N2S/c1-19-12-14-22(15-13-19)24-18-28-25(26-23-11-7-6-8-20(23)2)27(24)17-16-21-9-4-3-5-10-21/h3-15,18H,16-17H2,1-2H3/b26-25-
InChIKeyNWVFYMZLKWHSRX-QPLCGJKRSA-N
MW384.55 g/mol
LogP6.31
Rot. Bonds5

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

N-(2-methylphenyl)-4-(4-methylphenyl)-3-(2-phenylethyl)-1,3-thiazol-2-imine (PubChem CID 138392955) has the molecular formula C25H24N2S and a molecular weight of 384.55 g/mol. Its IUPAC name is N-(2-methylphenyl)-4-(4-methylphenyl)-3-(2-phenylethyl)-1,3-thiazol-2-imine.

Molecular Properties

Compound NameN-(2-methylphenyl)-4-(4-methylphenyl)-3-(2-phenylethyl)-1,3-thiazol-2-imine
PubChem CID138392955
Molecular FormulaC25H24N2S
Molecular Weight384.55 g/mol
Exact Mass384.17
IUPAC NameN-(2-methylphenyl)-4-(4-methylphenyl)-3-(2-phenylethyl)-1,3-thiazol-2-imine
SMILESCc1ccc(-c2cs/c(=N\c3ccccc3C)n2CCc2ccccc2)cc1
InChIInChI=1S/C25H24N2S/c1-19-12-14-22(15-13-19)24-18-28-25(26-23-11-7-6-8-20(23)2)27(24)17-16-21-9-4-3-5-10-21/h3-15,18H,16-17H2,1-2H3/b26-25-
InChIKeyNWVFYMZLKWHSRX-QPLCGJKRSA-N
XLogP6.31
TPSA17.29 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.55
LogP ≤ 56.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methylphenyl)-4-phenyl-3-(2-phenylethyl)-1,3-thiazol-2-imine
CID 138392959
N-(2-methylphenyl)-4-(4-methylphenyl)-3-(2-morpholin-4-ylethyl)-1,3-thiazol-2-imine
CID 138392682
N-(4-methylphenyl)-4-(4-nitrophenyl)-3-(2-phenylethyl)-1,3-thiazol-2-imine
CID 138392914
2-[4-(4-fluorophenyl)-2-(2-methylphenyl)imino-1,3-thiazol-3-yl]ethanol
CID 16955786
N-(2-methylphenyl)-4-(4-methylphenyl)-3-(oxolan-2-ylmethyl)-1,3-thiazol-2-imine
CID 23799143
N-(2-chlorophenyl)-4-[4-(difluoromethoxy)phenyl]-3-(2-phenylethyl)-1,3-thiazol-2-imine
CID 2128057
N-(3-methylphenyl)-4-(4-nitrophenyl)-3-(2-phenylethyl)-1,3-thiazol-2-imine
CID 138392938
N,N-dimethyl-4-[3-(2-phenylethyl)-2-phenylimino-1,3-thiazol-4-yl]benzenesulfonamide
CID 5229362
N-(4-methylphenyl)-3-[(4-methylphenyl)methyl]-4-phenyl-1,3-thiazol-2-imine
CID 18813249
N,N-diethyl-4-[3-(2-phenylethyl)-2-phenylimino-1,3-thiazol-4-yl]benzenesulfonamide
CID 3980869
4-(4-bromophenyl)-N-(2-methylphenyl)-3-(3-morpholin-4-ylpropyl)-1,3-thiazol-2-imine;hydrobromide
CID 44788756
3-hexyl-N-(4-methylphenyl)-4-phenyl-1,3-thiazol-2-imine
CID 18813168

Frequently Asked Questions

What is the IUPAC name of N-(2-methylphenyl)-4-(4-methylphenyl)-3-(2-phenylethyl)-1,3-thiazol-2-imine?
The IUPAC name of N-(2-methylphenyl)-4-(4-methylphenyl)-3-(2-phenylethyl)-1,3-thiazol-2-imine (CID 138392955) is N-(2-methylphenyl)-4-(4-methylphenyl)-3-(2-phenylethyl)-1,3-thiazol-2-imine.
What is the SMILES notation for N-(2-methylphenyl)-4-(4-methylphenyl)-3-(2-phenylethyl)-1,3-thiazol-2-imine?
The canonical SMILES for N-(2-methylphenyl)-4-(4-methylphenyl)-3-(2-phenylethyl)-1,3-thiazol-2-imine is Cc1ccc(-c2cs/c(=N\c3ccccc3C)n2CCc2ccccc2)cc1.
What is the InChIKey of N-(2-methylphenyl)-4-(4-methylphenyl)-3-(2-phenylethyl)-1,3-thiazol-2-imine?
The InChIKey is NWVFYMZLKWHSRX-QPLCGJKRSA-N. The full InChI is InChI=1S/C25H24N2S/c1-19-12-14-22(15-13-19)24-18-28-25(26-23-11-7-6-8-20(23)2)27(24)17-16-21-9-4-3-5-10-21/h3-15,18H,16-17H2,1-2H3/b26-25-.
What are the key properties of N-(2-methylphenyl)-4-(4-methylphenyl)-3-(2-phenylethyl)-1,3-thiazol-2-imine?
N-(2-methylphenyl)-4-(4-methylphenyl)-3-(2-phenylethyl)-1,3-thiazol-2-imine has a molecular weight of 384.55 g/mol, XLogP of 6.31, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylphenyl)-4-(4-methylphenyl)-3-(2-phenylethyl)-1,3-thiazol-2-imine is sourced from PubChem (CID 138392955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).