4-(4-fluorophenyl)-N-(4-methoxyphenyl)-3-[(2-methoxyphenyl)methyl]-1,3-thiazol-2-imine

C24H21FN2O2S — CID 2378083

IUPAC4-(4-fluorophenyl)-N-(4-methoxyphenyl)-3-[(2-methoxyphenyl)methyl]-1,3-thiazol-2-imine
SMILESCOc1ccc(/N=c2\scc(-c3ccc(F)cc3)n2Cc2ccccc2OC)cc1
InChIInChI=1S/C24H21FN2O2S/c1-28-21-13-11-20(12-14-21)26-24-27(15-18-5-3-4-6-23(18)29-2)22(16-30-24)17-7-9-19(25)10-8-17/h3-14,16H,15H2,1-2H3/b26-24-
InChIKeyQXKUJZUJZKZIJP-LCUIJRPUSA-N
MW420.51 g/mol
LogP5.65
Rot. Bonds6

About 4-(4-fluorophenyl)-N-(4-methoxyphenyl)-3-[(2-methoxyphenyl)methyl]-1,3-thiazol-2-imine

4-(4-fluorophenyl)-N-(4-methoxyphenyl)-3-[(2-methoxyphenyl)methyl]-1,3-thiazol-2-imine (PubChem CID 2378083) has the molecular formula C24H21FN2O2S and a molecular weight of 420.51 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-N-(4-methoxyphenyl)-3-[(2-methoxyphenyl)methyl]-1,3-thiazol-2-imine.

Molecular Properties

Compound Name4-(4-fluorophenyl)-N-(4-methoxyphenyl)-3-[(2-methoxyphenyl)methyl]-1,3-thiazol-2-imine
PubChem CID2378083
Molecular FormulaC24H21FN2O2S
Molecular Weight420.51 g/mol
Exact Mass420.13
IUPAC Name4-(4-fluorophenyl)-N-(4-methoxyphenyl)-3-[(2-methoxyphenyl)methyl]-1,3-thiazol-2-imine
SMILESCOc1ccc(/N=c2\scc(-c3ccc(F)cc3)n2Cc2ccccc2OC)cc1
InChIInChI=1S/C24H21FN2O2S/c1-28-21-13-11-20(12-14-21)26-24-27(15-18-5-3-4-6-23(18)29-2)22(16-30-24)17-7-9-19(25)10-8-17/h3-14,16H,15H2,1-2H3/b26-24-
InChIKeyQXKUJZUJZKZIJP-LCUIJRPUSA-N
XLogP5.65
TPSA35.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.51
LogP ≤ 55.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-(4-fluorophenyl)-N-(4-methoxyphenyl)-3-[(2-methoxyphenyl)methyl]-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-fluorophenyl)-N-(4-methoxyphenyl)-3-[(2-methoxyphenyl)methyl]-1,3-thiazol-2-imine?
The IUPAC name of 4-(4-fluorophenyl)-N-(4-methoxyphenyl)-3-[(2-methoxyphenyl)methyl]-1,3-thiazol-2-imine (CID 2378083) is 4-(4-fluorophenyl)-N-(4-methoxyphenyl)-3-[(2-methoxyphenyl)methyl]-1,3-thiazol-2-imine.
What is the SMILES notation for 4-(4-fluorophenyl)-N-(4-methoxyphenyl)-3-[(2-methoxyphenyl)methyl]-1,3-thiazol-2-imine?
The canonical SMILES for 4-(4-fluorophenyl)-N-(4-methoxyphenyl)-3-[(2-methoxyphenyl)methyl]-1,3-thiazol-2-imine is COc1ccc(/N=c2\scc(-c3ccc(F)cc3)n2Cc2ccccc2OC)cc1.
What is the InChIKey of 4-(4-fluorophenyl)-N-(4-methoxyphenyl)-3-[(2-methoxyphenyl)methyl]-1,3-thiazol-2-imine?
The InChIKey is QXKUJZUJZKZIJP-LCUIJRPUSA-N. The full InChI is InChI=1S/C24H21FN2O2S/c1-28-21-13-11-20(12-14-21)26-24-27(15-18-5-3-4-6-23(18)29-2)22(16-30-24)17-7-9-19(25)10-8-17/h3-14,16H,15H2,1-2H3/b26-24-.
What are the key properties of 4-(4-fluorophenyl)-N-(4-methoxyphenyl)-3-[(2-methoxyphenyl)methyl]-1,3-thiazol-2-imine?
4-(4-fluorophenyl)-N-(4-methoxyphenyl)-3-[(2-methoxyphenyl)methyl]-1,3-thiazol-2-imine has a molecular weight of 420.51 g/mol, XLogP of 5.65, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-N-(4-methoxyphenyl)-3-[(2-methoxyphenyl)methyl]-1,3-thiazol-2-imine is sourced from PubChem (CID 2378083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).