[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]-phenylmethanone

C18H15NOS — CID 63524212

IUPAC[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]-phenylmethanone
SMILESCc1ccc(C)c(-c2csc(C(=O)c3ccccc3)n2)c1
InChIInChI=1S/C18H15NOS/c1-12-8-9-13(2)15(10-12)16-11-21-18(19-16)17(20)14-6-4-3-5-7-14/h3-11H,1-2H3
InChIKeyWEMXLALBLOHJSQ-UHFFFAOYSA-N
MW293.39 g/mol
LogP4.66
Rot. Bonds3

About [4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]-phenylmethanone

[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]-phenylmethanone (PubChem CID 63524212) has the molecular formula C18H15NOS and a molecular weight of 293.39 g/mol. Its IUPAC name is [4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]-phenylmethanone.

Molecular Properties

Compound Name[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]-phenylmethanone
PubChem CID63524212
Molecular FormulaC18H15NOS
Molecular Weight293.39 g/mol
Exact Mass293.09
IUPAC Name[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]-phenylmethanone
SMILESCc1ccc(C)c(-c2csc(C(=O)c3ccccc3)n2)c1
InChIInChI=1S/C18H15NOS/c1-12-8-9-13(2)15(10-12)16-11-21-18(19-16)17(20)14-6-4-3-5-7-14/h3-11H,1-2H3
InChIKeyWEMXLALBLOHJSQ-UHFFFAOYSA-N
XLogP4.66
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze [4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]-phenylmethanone 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-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]-phenylmethanone?
The IUPAC name of [4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]-phenylmethanone (CID 63524212) is [4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]-phenylmethanone.
What is the SMILES notation for [4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]-phenylmethanone?
The canonical SMILES for [4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]-phenylmethanone is Cc1ccc(C)c(-c2csc(C(=O)c3ccccc3)n2)c1.
What is the InChIKey of [4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]-phenylmethanone?
The InChIKey is WEMXLALBLOHJSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NOS/c1-12-8-9-13(2)15(10-12)16-11-21-18(19-16)17(20)14-6-4-3-5-7-14/h3-11H,1-2H3.
What are the key properties of [4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]-phenylmethanone?
[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]-phenylmethanone has a molecular weight of 293.39 g/mol, XLogP of 4.66, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]-phenylmethanone is sourced from PubChem (CID 63524212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).