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

C24H22N2S — CID 138392959

IUPACN-(2-methylphenyl)-4-phenyl-3-(2-phenylethyl)-1,3-thiazol-2-imine
SMILESCc1ccccc1/N=c1\scc(-c2ccccc2)n1CCc1ccccc1
InChIInChI=1S/C24H22N2S/c1-19-10-8-9-15-22(19)25-24-26(17-16-20-11-4-2-5-12-20)23(18-27-24)21-13-6-3-7-14-21/h2-15,18H,16-17H2,1H3/b25-24-
InChIKeyJBZGGVRRGNNZSU-IZHYLOQSSA-N
MW370.52 g/mol
LogP6.00
Rot. Bonds5

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

N-(2-methylphenyl)-4-phenyl-3-(2-phenylethyl)-1,3-thiazol-2-imine (PubChem CID 138392959) has the molecular formula C24H22N2S and a molecular weight of 370.52 g/mol. Its IUPAC name is N-(2-methylphenyl)-4-phenyl-3-(2-phenylethyl)-1,3-thiazol-2-imine.

Molecular Properties

Compound NameN-(2-methylphenyl)-4-phenyl-3-(2-phenylethyl)-1,3-thiazol-2-imine
PubChem CID138392959
Molecular FormulaC24H22N2S
Molecular Weight370.52 g/mol
Exact Mass370.15
IUPAC NameN-(2-methylphenyl)-4-phenyl-3-(2-phenylethyl)-1,3-thiazol-2-imine
SMILESCc1ccccc1/N=c1\scc(-c2ccccc2)n1CCc1ccccc1
InChIInChI=1S/C24H22N2S/c1-19-10-8-9-15-22(19)25-24-26(17-16-20-11-4-2-5-12-20)23(18-27-24)21-13-6-3-7-14-21/h2-15,18H,16-17H2,1H3/b25-24-
InChIKeyJBZGGVRRGNNZSU-IZHYLOQSSA-N
XLogP6.00
TPSA17.29 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.52
LogP ≤ 56.00
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-(4-methylphenyl)-3-(2-phenylethyl)-1,3-thiazol-2-imine
CID 138392955
2-[4-(4-fluorophenyl)-2-(2-methylphenyl)imino-1,3-thiazol-3-yl]ethanol
CID 16955786
N-(2-chlorophenyl)-4-[4-(difluoromethoxy)phenyl]-3-(2-phenylethyl)-1,3-thiazol-2-imine
CID 2128057
N-(4-methylphenyl)-4-(4-nitrophenyl)-3-(2-phenylethyl)-1,3-thiazol-2-imine
CID 138392914
N,N-dimethyl-4-[3-(2-phenylethyl)-2-phenylimino-1,3-thiazol-4-yl]benzenesulfonamide
CID 5229362
N-(3-methylphenyl)-4-(4-nitrophenyl)-3-(2-phenylethyl)-1,3-thiazol-2-imine
CID 138392938
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
N,N-diethyl-4-[3-(2-phenylethyl)-2-phenylimino-1,3-thiazol-4-yl]benzenesulfonamide;hydrobromide
CID 90484804
4-(4-methoxyphenyl)-5-methyl-N-(2-methylphenyl)-3-(2-phenylethyl)-1,3-thiazol-2-imine
CID 138392953
N-(2-methylphenyl)-4-(4-methylphenyl)-3-(oxolan-2-ylmethyl)-1,3-thiazol-2-imine
CID 23799143
4-(2-chlorophenyl)-N-phenyl-3-(2-phenylethyl)-1,3-thiazol-2-imine
CID 138393007

Frequently Asked Questions

What is the IUPAC name of N-(2-methylphenyl)-4-phenyl-3-(2-phenylethyl)-1,3-thiazol-2-imine?
The IUPAC name of N-(2-methylphenyl)-4-phenyl-3-(2-phenylethyl)-1,3-thiazol-2-imine (CID 138392959) is N-(2-methylphenyl)-4-phenyl-3-(2-phenylethyl)-1,3-thiazol-2-imine.
What is the SMILES notation for N-(2-methylphenyl)-4-phenyl-3-(2-phenylethyl)-1,3-thiazol-2-imine?
The canonical SMILES for N-(2-methylphenyl)-4-phenyl-3-(2-phenylethyl)-1,3-thiazol-2-imine is Cc1ccccc1/N=c1\scc(-c2ccccc2)n1CCc1ccccc1.
What is the InChIKey of N-(2-methylphenyl)-4-phenyl-3-(2-phenylethyl)-1,3-thiazol-2-imine?
The InChIKey is JBZGGVRRGNNZSU-IZHYLOQSSA-N. The full InChI is InChI=1S/C24H22N2S/c1-19-10-8-9-15-22(19)25-24-26(17-16-20-11-4-2-5-12-20)23(18-27-24)21-13-6-3-7-14-21/h2-15,18H,16-17H2,1H3/b25-24-.
What are the key properties of N-(2-methylphenyl)-4-phenyl-3-(2-phenylethyl)-1,3-thiazol-2-imine?
N-(2-methylphenyl)-4-phenyl-3-(2-phenylethyl)-1,3-thiazol-2-imine has a molecular weight of 370.52 g/mol, XLogP of 6.00, 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-phenyl-3-(2-phenylethyl)-1,3-thiazol-2-imine is sourced from PubChem (CID 138392959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).