4-(4-methoxyphenyl)-2-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]-1,3-thiazole

C25H18N2OS2 — CID 162655985

IUPAC4-(4-methoxyphenyl)-2-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]-1,3-thiazole
SMILESCOc1ccc(-c2csc(-c3cccc(-c4csc(-c5ccccc5)n4)c3)n2)cc1
InChIInChI=1S/C25H18N2OS2/c1-28-21-12-10-17(11-13-21)22-15-30-25(26-22)20-9-5-8-19(14-20)23-16-29-24(27-23)18-6-3-2-4-7-18/h2-16H,1H3
InChIKeyYPPDGBCPPJTNEM-UHFFFAOYSA-N
MW426.57 g/mol
LogP7.28
Rot. Bonds5

About 4-(4-methoxyphenyl)-2-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]-1,3-thiazole

4-(4-methoxyphenyl)-2-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]-1,3-thiazole (PubChem CID 162655985) has the molecular formula C25H18N2OS2 and a molecular weight of 426.57 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)-2-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]-1,3-thiazole.

Molecular Properties

Compound Name4-(4-methoxyphenyl)-2-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]-1,3-thiazole
PubChem CID162655985
Molecular FormulaC25H18N2OS2
Molecular Weight426.57 g/mol
Exact Mass426.09
IUPAC Name4-(4-methoxyphenyl)-2-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]-1,3-thiazole
SMILESCOc1ccc(-c2csc(-c3cccc(-c4csc(-c5ccccc5)n4)c3)n2)cc1
InChIInChI=1S/C25H18N2OS2/c1-28-21-12-10-17(11-13-21)22-15-30-25(26-22)20-9-5-8-19(14-20)23-16-29-24(27-23)18-6-3-2-4-7-18/h2-16H,1H3
InChIKeyYPPDGBCPPJTNEM-UHFFFAOYSA-N
XLogP7.28
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.57
LogP ≤ 57.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-(4-methoxyphenyl)-2-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]-1,3-thiazole 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)-2-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]-1,3-thiazole?
The IUPAC name of 4-(4-methoxyphenyl)-2-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]-1,3-thiazole (CID 162655985) is 4-(4-methoxyphenyl)-2-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]-1,3-thiazole.
What is the SMILES notation for 4-(4-methoxyphenyl)-2-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]-1,3-thiazole?
The canonical SMILES for 4-(4-methoxyphenyl)-2-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]-1,3-thiazole is COc1ccc(-c2csc(-c3cccc(-c4csc(-c5ccccc5)n4)c3)n2)cc1.
What is the InChIKey of 4-(4-methoxyphenyl)-2-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]-1,3-thiazole?
The InChIKey is YPPDGBCPPJTNEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18N2OS2/c1-28-21-12-10-17(11-13-21)22-15-30-25(26-22)20-9-5-8-19(14-20)23-16-29-24(27-23)18-6-3-2-4-7-18/h2-16H,1H3.
What are the key properties of 4-(4-methoxyphenyl)-2-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]-1,3-thiazole?
4-(4-methoxyphenyl)-2-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]-1,3-thiazole has a molecular weight of 426.57 g/mol, XLogP of 7.28, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenyl)-2-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]-1,3-thiazole is sourced from PubChem (CID 162655985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).