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

C17H16N2OS — CID 716483

IUPAC4-(4-methoxyphenyl)-3-methyl-N-phenyl-1,3-thiazol-2-imine
SMILESCOc1ccc(-c2cs/c(=N\c3ccccc3)n2C)cc1
InChIInChI=1S/C17H16N2OS/c1-19-16(13-8-10-15(20-2)11-9-13)12-21-17(19)18-14-6-4-3-5-7-14/h3-12H,1-2H3/b18-17-
InChIKeyGMDGRXFHQFSOJE-ZCXUNETKSA-N
MW296.40 g/mol
LogP3.99
Rot. Bonds3

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

4-(4-methoxyphenyl)-3-methyl-N-phenyl-1,3-thiazol-2-imine (PubChem CID 716483) has the molecular formula C17H16N2OS and a molecular weight of 296.40 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)-3-methyl-N-phenyl-1,3-thiazol-2-imine.

Molecular Properties

Compound Name4-(4-methoxyphenyl)-3-methyl-N-phenyl-1,3-thiazol-2-imine
PubChem CID716483
Molecular FormulaC17H16N2OS
Molecular Weight296.40 g/mol
Exact Mass296.10
IUPAC Name4-(4-methoxyphenyl)-3-methyl-N-phenyl-1,3-thiazol-2-imine
SMILESCOc1ccc(-c2cs/c(=N\c3ccccc3)n2C)cc1
InChIInChI=1S/C17H16N2OS/c1-19-16(13-8-10-15(20-2)11-9-13)12-21-17(19)18-14-6-4-3-5-7-14/h3-12H,1-2H3/b18-17-
InChIKeyGMDGRXFHQFSOJE-ZCXUNETKSA-N
XLogP3.99
TPSA26.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.40
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-(4-methoxyphenyl)-3-methyl-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 4-(4-methoxyphenyl)-3-methyl-N-phenyl-1,3-thiazol-2-imine?
The IUPAC name of 4-(4-methoxyphenyl)-3-methyl-N-phenyl-1,3-thiazol-2-imine (CID 716483) is 4-(4-methoxyphenyl)-3-methyl-N-phenyl-1,3-thiazol-2-imine.
What is the SMILES notation for 4-(4-methoxyphenyl)-3-methyl-N-phenyl-1,3-thiazol-2-imine?
The canonical SMILES for 4-(4-methoxyphenyl)-3-methyl-N-phenyl-1,3-thiazol-2-imine is COc1ccc(-c2cs/c(=N\c3ccccc3)n2C)cc1.
What is the InChIKey of 4-(4-methoxyphenyl)-3-methyl-N-phenyl-1,3-thiazol-2-imine?
The InChIKey is GMDGRXFHQFSOJE-ZCXUNETKSA-N. The full InChI is InChI=1S/C17H16N2OS/c1-19-16(13-8-10-15(20-2)11-9-13)12-21-17(19)18-14-6-4-3-5-7-14/h3-12H,1-2H3/b18-17-.
What are the key properties of 4-(4-methoxyphenyl)-3-methyl-N-phenyl-1,3-thiazol-2-imine?
4-(4-methoxyphenyl)-3-methyl-N-phenyl-1,3-thiazol-2-imine has a molecular weight of 296.40 g/mol, XLogP of 3.99, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenyl)-3-methyl-N-phenyl-1,3-thiazol-2-imine is sourced from PubChem (CID 716483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).