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

C20H22N2OS — CID 624787

IUPACN-(4-methoxyphenyl)-3-(2-methylpropyl)-4-phenyl-1,3-thiazol-2-imine
SMILESCOc1ccc(/N=c2\scc(-c3ccccc3)n2CC(C)C)cc1
InChIInChI=1S/C20H22N2OS/c1-15(2)13-22-19(16-7-5-4-6-8-16)14-24-20(22)21-17-9-11-18(23-3)12-10-17/h4-12,14-15H,13H2,1-3H3/b21-20-
InChIKeyWAPGFRQEUACBIA-MRCUWXFGSA-N
MW338.48 g/mol
LogP5.11
Rot. Bonds5

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

N-(4-methoxyphenyl)-3-(2-methylpropyl)-4-phenyl-1,3-thiazol-2-imine (PubChem CID 624787) has the molecular formula C20H22N2OS and a molecular weight of 338.48 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-3-(2-methylpropyl)-4-phenyl-1,3-thiazol-2-imine.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-3-(2-methylpropyl)-4-phenyl-1,3-thiazol-2-imine
PubChem CID624787
Molecular FormulaC20H22N2OS
Molecular Weight338.48 g/mol
Exact Mass338.15
IUPAC NameN-(4-methoxyphenyl)-3-(2-methylpropyl)-4-phenyl-1,3-thiazol-2-imine
SMILESCOc1ccc(/N=c2\scc(-c3ccccc3)n2CC(C)C)cc1
InChIInChI=1S/C20H22N2OS/c1-15(2)13-22-19(16-7-5-4-6-8-16)14-24-20(22)21-17-9-11-18(23-3)12-10-17/h4-12,14-15H,13H2,1-3H3/b21-20-
InChIKeyWAPGFRQEUACBIA-MRCUWXFGSA-N
XLogP5.11
TPSA26.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.48
LogP ≤ 55.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(4-methoxyphenyl)-3-(2-methylpropyl)-4-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 N-(4-methoxyphenyl)-3-(2-methylpropyl)-4-phenyl-1,3-thiazol-2-imine?
The IUPAC name of N-(4-methoxyphenyl)-3-(2-methylpropyl)-4-phenyl-1,3-thiazol-2-imine (CID 624787) is N-(4-methoxyphenyl)-3-(2-methylpropyl)-4-phenyl-1,3-thiazol-2-imine.
What is the SMILES notation for N-(4-methoxyphenyl)-3-(2-methylpropyl)-4-phenyl-1,3-thiazol-2-imine?
The canonical SMILES for N-(4-methoxyphenyl)-3-(2-methylpropyl)-4-phenyl-1,3-thiazol-2-imine is COc1ccc(/N=c2\scc(-c3ccccc3)n2CC(C)C)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-3-(2-methylpropyl)-4-phenyl-1,3-thiazol-2-imine?
The InChIKey is WAPGFRQEUACBIA-MRCUWXFGSA-N. The full InChI is InChI=1S/C20H22N2OS/c1-15(2)13-22-19(16-7-5-4-6-8-16)14-24-20(22)21-17-9-11-18(23-3)12-10-17/h4-12,14-15H,13H2,1-3H3/b21-20-.
What are the key properties of N-(4-methoxyphenyl)-3-(2-methylpropyl)-4-phenyl-1,3-thiazol-2-imine?
N-(4-methoxyphenyl)-3-(2-methylpropyl)-4-phenyl-1,3-thiazol-2-imine has a molecular weight of 338.48 g/mol, XLogP of 5.11, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-3-(2-methylpropyl)-4-phenyl-1,3-thiazol-2-imine is sourced from PubChem (CID 624787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).