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

C22H17NOS — CID 130289096

IUPAC4-[3-(2-methoxyphenyl)phenyl]-2-phenyl-1,3-thiazole
SMILESCOc1ccccc1-c1cccc(-c2csc(-c3ccccc3)n2)c1
InChIInChI=1S/C22H17NOS/c1-24-21-13-6-5-12-19(21)17-10-7-11-18(14-17)20-15-25-22(23-20)16-8-3-2-4-9-16/h2-15H,1H3
InChIKeyVOLWIJWMUOIPBH-UHFFFAOYSA-N
MW343.45 g/mol
LogP6.15
Rot. Bonds4

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

4-[3-(2-methoxyphenyl)phenyl]-2-phenyl-1,3-thiazole (PubChem CID 130289096) has the molecular formula C22H17NOS and a molecular weight of 343.45 g/mol. Its IUPAC name is 4-[3-(2-methoxyphenyl)phenyl]-2-phenyl-1,3-thiazole.

Molecular Properties

Compound Name4-[3-(2-methoxyphenyl)phenyl]-2-phenyl-1,3-thiazole
PubChem CID130289096
Molecular FormulaC22H17NOS
Molecular Weight343.45 g/mol
Exact Mass343.10
IUPAC Name4-[3-(2-methoxyphenyl)phenyl]-2-phenyl-1,3-thiazole
SMILESCOc1ccccc1-c1cccc(-c2csc(-c3ccccc3)n2)c1
InChIInChI=1S/C22H17NOS/c1-24-21-13-6-5-12-19(21)17-10-7-11-18(14-17)20-15-25-22(23-20)16-8-3-2-4-9-16/h2-15H,1H3
InChIKeyVOLWIJWMUOIPBH-UHFFFAOYSA-N
XLogP6.15
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.45
LogP ≤ 56.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-[3-(2-methoxyphenyl)phenyl]-2-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-[3-(2-methoxyphenyl)phenyl]-2-phenyl-1,3-thiazole?
The IUPAC name of 4-[3-(2-methoxyphenyl)phenyl]-2-phenyl-1,3-thiazole (CID 130289096) is 4-[3-(2-methoxyphenyl)phenyl]-2-phenyl-1,3-thiazole.
What is the SMILES notation for 4-[3-(2-methoxyphenyl)phenyl]-2-phenyl-1,3-thiazole?
The canonical SMILES for 4-[3-(2-methoxyphenyl)phenyl]-2-phenyl-1,3-thiazole is COc1ccccc1-c1cccc(-c2csc(-c3ccccc3)n2)c1.
What is the InChIKey of 4-[3-(2-methoxyphenyl)phenyl]-2-phenyl-1,3-thiazole?
The InChIKey is VOLWIJWMUOIPBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17NOS/c1-24-21-13-6-5-12-19(21)17-10-7-11-18(14-17)20-15-25-22(23-20)16-8-3-2-4-9-16/h2-15H,1H3.
What are the key properties of 4-[3-(2-methoxyphenyl)phenyl]-2-phenyl-1,3-thiazole?
4-[3-(2-methoxyphenyl)phenyl]-2-phenyl-1,3-thiazole has a molecular weight of 343.45 g/mol, XLogP of 6.15, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2-methoxyphenyl)phenyl]-2-phenyl-1,3-thiazole is sourced from PubChem (CID 130289096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).