3-benzyl-4-(4-methoxyphenyl)-N-phenyl-1,3-thiazol-2-imine

C23H20N2OS — CID 1047063

IUPAC3-benzyl-4-(4-methoxyphenyl)-N-phenyl-1,3-thiazol-2-imine
SMILESCOc1ccc(-c2cs/c(=N\c3ccccc3)n2Cc2ccccc2)cc1
InChIInChI=1S/C23H20N2OS/c1-26-21-14-12-19(13-15-21)22-17-27-23(24-20-10-6-3-7-11-20)25(22)16-18-8-4-2-5-9-18/h2-15,17H,16H2,1H3/b24-23-
InChIKeyXCRPSPAVWHTJOS-VHXPQNKSSA-N
MW372.49 g/mol
LogP5.51
Rot. Bonds5

About 3-benzyl-4-(4-methoxyphenyl)-N-phenyl-1,3-thiazol-2-imine

3-benzyl-4-(4-methoxyphenyl)-N-phenyl-1,3-thiazol-2-imine (PubChem CID 1047063) has the molecular formula C23H20N2OS and a molecular weight of 372.49 g/mol. Its IUPAC name is 3-benzyl-4-(4-methoxyphenyl)-N-phenyl-1,3-thiazol-2-imine.

Molecular Properties

Compound Name3-benzyl-4-(4-methoxyphenyl)-N-phenyl-1,3-thiazol-2-imine
PubChem CID1047063
Molecular FormulaC23H20N2OS
Molecular Weight372.49 g/mol
Exact Mass372.13
IUPAC Name3-benzyl-4-(4-methoxyphenyl)-N-phenyl-1,3-thiazol-2-imine
SMILESCOc1ccc(-c2cs/c(=N\c3ccccc3)n2Cc2ccccc2)cc1
InChIInChI=1S/C23H20N2OS/c1-26-21-14-12-19(13-15-21)22-17-27-23(24-20-10-6-3-7-11-20)25(22)16-18-8-4-2-5-9-18/h2-15,17H,16H2,1H3/b24-23-
InChIKeyXCRPSPAVWHTJOS-VHXPQNKSSA-N
XLogP5.51
TPSA26.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.49
LogP ≤ 55.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-benzyl-4-(4-methoxyphenyl)-N-phenyl-1,3-thiazol-2-imine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-4-(4-methoxyphenyl)-N-phenyl-1,3-thiazol-2-imine?
The IUPAC name of 3-benzyl-4-(4-methoxyphenyl)-N-phenyl-1,3-thiazol-2-imine (CID 1047063) is 3-benzyl-4-(4-methoxyphenyl)-N-phenyl-1,3-thiazol-2-imine.
What is the SMILES notation for 3-benzyl-4-(4-methoxyphenyl)-N-phenyl-1,3-thiazol-2-imine?
The canonical SMILES for 3-benzyl-4-(4-methoxyphenyl)-N-phenyl-1,3-thiazol-2-imine is COc1ccc(-c2cs/c(=N\c3ccccc3)n2Cc2ccccc2)cc1.
What is the InChIKey of 3-benzyl-4-(4-methoxyphenyl)-N-phenyl-1,3-thiazol-2-imine?
The InChIKey is XCRPSPAVWHTJOS-VHXPQNKSSA-N. The full InChI is InChI=1S/C23H20N2OS/c1-26-21-14-12-19(13-15-21)22-17-27-23(24-20-10-6-3-7-11-20)25(22)16-18-8-4-2-5-9-18/h2-15,17H,16H2,1H3/b24-23-.
What are the key properties of 3-benzyl-4-(4-methoxyphenyl)-N-phenyl-1,3-thiazol-2-imine?
3-benzyl-4-(4-methoxyphenyl)-N-phenyl-1,3-thiazol-2-imine has a molecular weight of 372.49 g/mol, XLogP of 5.51, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-4-(4-methoxyphenyl)-N-phenyl-1,3-thiazol-2-imine is sourced from PubChem (CID 1047063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).