N-(4-methylphenyl)-3-[(4-methylphenyl)methyl]-4-phenyl-1,3-thiazol-2-imine

C24H22N2S — CID 18813249

IUPACN-(4-methylphenyl)-3-[(4-methylphenyl)methyl]-4-phenyl-1,3-thiazol-2-imine
SMILESCc1ccc(Cn2c(-c3ccccc3)cs/c2=N\c2ccc(C)cc2)cc1
InChIInChI=1S/C24H22N2S/c1-18-8-12-20(13-9-18)16-26-23(21-6-4-3-5-7-21)17-27-24(26)25-22-14-10-19(2)11-15-22/h3-15,17H,16H2,1-2H3/b25-24-
InChIKeyWUZXPHOADUXCGR-IZHYLOQSSA-N
MW370.52 g/mol
LogP6.11
Rot. Bonds4

About N-(4-methylphenyl)-3-[(4-methylphenyl)methyl]-4-phenyl-1,3-thiazol-2-imine

N-(4-methylphenyl)-3-[(4-methylphenyl)methyl]-4-phenyl-1,3-thiazol-2-imine (PubChem CID 18813249) has the molecular formula C24H22N2S and a molecular weight of 370.52 g/mol. Its IUPAC name is N-(4-methylphenyl)-3-[(4-methylphenyl)methyl]-4-phenyl-1,3-thiazol-2-imine.

Molecular Properties

Compound NameN-(4-methylphenyl)-3-[(4-methylphenyl)methyl]-4-phenyl-1,3-thiazol-2-imine
PubChem CID18813249
Molecular FormulaC24H22N2S
Molecular Weight370.52 g/mol
Exact Mass370.15
IUPAC NameN-(4-methylphenyl)-3-[(4-methylphenyl)methyl]-4-phenyl-1,3-thiazol-2-imine
SMILESCc1ccc(Cn2c(-c3ccccc3)cs/c2=N\c2ccc(C)cc2)cc1
InChIInChI=1S/C24H22N2S/c1-18-8-12-20(13-9-18)16-26-23(21-6-4-3-5-7-21)17-27-24(26)25-22-14-10-19(2)11-15-22/h3-15,17H,16H2,1-2H3/b25-24-
InChIKeyWUZXPHOADUXCGR-IZHYLOQSSA-N
XLogP6.11
TPSA17.29 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.52
LogP ≤ 56.11
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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Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-3-[(4-methylphenyl)methyl]-4-phenyl-1,3-thiazol-2-imine?
The IUPAC name of N-(4-methylphenyl)-3-[(4-methylphenyl)methyl]-4-phenyl-1,3-thiazol-2-imine (CID 18813249) is N-(4-methylphenyl)-3-[(4-methylphenyl)methyl]-4-phenyl-1,3-thiazol-2-imine.
What is the SMILES notation for N-(4-methylphenyl)-3-[(4-methylphenyl)methyl]-4-phenyl-1,3-thiazol-2-imine?
The canonical SMILES for N-(4-methylphenyl)-3-[(4-methylphenyl)methyl]-4-phenyl-1,3-thiazol-2-imine is Cc1ccc(Cn2c(-c3ccccc3)cs/c2=N\c2ccc(C)cc2)cc1.
What is the InChIKey of N-(4-methylphenyl)-3-[(4-methylphenyl)methyl]-4-phenyl-1,3-thiazol-2-imine?
The InChIKey is WUZXPHOADUXCGR-IZHYLOQSSA-N. The full InChI is InChI=1S/C24H22N2S/c1-18-8-12-20(13-9-18)16-26-23(21-6-4-3-5-7-21)17-27-24(26)25-22-14-10-19(2)11-15-22/h3-15,17H,16H2,1-2H3/b25-24-.
What are the key properties of N-(4-methylphenyl)-3-[(4-methylphenyl)methyl]-4-phenyl-1,3-thiazol-2-imine?
N-(4-methylphenyl)-3-[(4-methylphenyl)methyl]-4-phenyl-1,3-thiazol-2-imine has a molecular weight of 370.52 g/mol, XLogP of 6.11, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)-3-[(4-methylphenyl)methyl]-4-phenyl-1,3-thiazol-2-imine is sourced from PubChem (CID 18813249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).