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

C23H19ClN2S — CID 138393007

IUPAC4-(2-chlorophenyl)-N-phenyl-3-(2-phenylethyl)-1,3-thiazol-2-imine
SMILESClc1ccccc1-c1cs/c(=N\c2ccccc2)n1CCc1ccccc1
InChIInChI=1S/C23H19ClN2S/c24-21-14-8-7-13-20(21)22-17-27-23(25-19-11-5-2-6-12-19)26(22)16-15-18-9-3-1-4-10-18/h1-14,17H,15-16H2/b25-23-
InChIKeyOWXPXFXLFXHYED-BZZOAKBMSA-N
MW390.94 g/mol
LogP6.35
Rot. Bonds5

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

4-(2-chlorophenyl)-N-phenyl-3-(2-phenylethyl)-1,3-thiazol-2-imine (PubChem CID 138393007) has the molecular formula C23H19ClN2S and a molecular weight of 390.94 g/mol. Its IUPAC name is 4-(2-chlorophenyl)-N-phenyl-3-(2-phenylethyl)-1,3-thiazol-2-imine.

Molecular Properties

Compound Name4-(2-chlorophenyl)-N-phenyl-3-(2-phenylethyl)-1,3-thiazol-2-imine
PubChem CID138393007
Molecular FormulaC23H19ClN2S
Molecular Weight390.94 g/mol
Exact Mass390.10
IUPAC Name4-(2-chlorophenyl)-N-phenyl-3-(2-phenylethyl)-1,3-thiazol-2-imine
SMILESClc1ccccc1-c1cs/c(=N\c2ccccc2)n1CCc1ccccc1
InChIInChI=1S/C23H19ClN2S/c24-21-14-8-7-13-20(21)22-17-27-23(25-19-11-5-2-6-12-19)26(22)16-15-18-9-3-1-4-10-18/h1-14,17H,15-16H2/b25-23-
InChIKeyOWXPXFXLFXHYED-BZZOAKBMSA-N
XLogP6.35
TPSA17.29 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.94
LogP ≤ 56.35
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

4-(2,4-dichlorophenyl)-N-phenyl-3-(2-phenylethyl)-1,3-thiazol-2-imine
CID 138393008
N-(4-chlorophenyl)-4-(2,4-dichlorophenyl)-3-(2-phenylethyl)-1,3-thiazol-2-imine;hydrobromide
CID 45135464
4-(2-chlorophenyl)-3-[(4-chlorophenyl)methyl]-N-(4-fluorophenyl)-1,3-thiazol-2-imine
CID 2322788
N-phenyl-3-(2-phenylethyl)-4-(3-piperidin-1-ylsulfonylphenyl)-1,3-thiazol-2-imine
CID 4701336
N,N-dimethyl-4-[3-(2-phenylethyl)-2-phenylimino-1,3-thiazol-4-yl]benzenesulfonamide
CID 5229362
N-(2-chlorophenyl)-4-[4-(difluoromethoxy)phenyl]-3-(2-phenylethyl)-1,3-thiazol-2-imine
CID 2128057
N,N-diethyl-4-[3-(2-phenylethyl)-2-phenylimino-1,3-thiazol-4-yl]benzenesulfonamide
CID 3980869
N-(2-methylphenyl)-4-phenyl-3-(2-phenylethyl)-1,3-thiazol-2-imine
CID 138392959
N,N-diethyl-4-[3-(2-phenylethyl)-2-phenylimino-1,3-thiazol-4-yl]benzenesulfonamide;hydrobromide
CID 90484804
3-benzyl-N-phenyl-4-thiophen-2-yl-1,3-thiazol-2-imine;hydrobromide
CID 56726121
N-(4-fluorophenyl)-3-(2-phenylethyl)-4-(4-pyrrolidin-1-ylsulfonylphenyl)-1,3-thiazol-2-imine
CID 4228657
4-(4-chlorophenyl)-3-[2-(3,4-dimethoxyphenyl)ethyl]-N-phenyl-1,3-thiazol-2-imine;hydrobromide
CID 45135321

Frequently Asked Questions

What is the IUPAC name of 4-(2-chlorophenyl)-N-phenyl-3-(2-phenylethyl)-1,3-thiazol-2-imine?
The IUPAC name of 4-(2-chlorophenyl)-N-phenyl-3-(2-phenylethyl)-1,3-thiazol-2-imine (CID 138393007) is 4-(2-chlorophenyl)-N-phenyl-3-(2-phenylethyl)-1,3-thiazol-2-imine.
What is the SMILES notation for 4-(2-chlorophenyl)-N-phenyl-3-(2-phenylethyl)-1,3-thiazol-2-imine?
The canonical SMILES for 4-(2-chlorophenyl)-N-phenyl-3-(2-phenylethyl)-1,3-thiazol-2-imine is Clc1ccccc1-c1cs/c(=N\c2ccccc2)n1CCc1ccccc1.
What is the InChIKey of 4-(2-chlorophenyl)-N-phenyl-3-(2-phenylethyl)-1,3-thiazol-2-imine?
The InChIKey is OWXPXFXLFXHYED-BZZOAKBMSA-N. The full InChI is InChI=1S/C23H19ClN2S/c24-21-14-8-7-13-20(21)22-17-27-23(25-19-11-5-2-6-12-19)26(22)16-15-18-9-3-1-4-10-18/h1-14,17H,15-16H2/b25-23-.
What are the key properties of 4-(2-chlorophenyl)-N-phenyl-3-(2-phenylethyl)-1,3-thiazol-2-imine?
4-(2-chlorophenyl)-N-phenyl-3-(2-phenylethyl)-1,3-thiazol-2-imine has a molecular weight of 390.94 g/mol, XLogP of 6.35, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chlorophenyl)-N-phenyl-3-(2-phenylethyl)-1,3-thiazol-2-imine is sourced from PubChem (CID 138393007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).