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

C14H12N2OS — CID 2742514

IUPAC5-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-1,2-oxazole
SMILESCc1ccc(-c2csc(-c3ccno3)n2)c(C)c1
InChIInChI=1S/C14H12N2OS/c1-9-3-4-11(10(2)7-9)12-8-18-14(16-12)13-5-6-15-17-13/h3-8H,1-2H3
InChIKeyLPAYEEHRZCBNCD-UHFFFAOYSA-N
MW256.33 g/mol
LogP4.08
Rot. Bonds2

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

5-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-1,2-oxazole (PubChem CID 2742514) has the molecular formula C14H12N2OS and a molecular weight of 256.33 g/mol. Its IUPAC name is 5-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-1,2-oxazole.

Molecular Properties

Compound Name5-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-1,2-oxazole
PubChem CID2742514
Molecular FormulaC14H12N2OS
Molecular Weight256.33 g/mol
Exact Mass256.07
IUPAC Name5-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-1,2-oxazole
SMILESCc1ccc(-c2csc(-c3ccno3)n2)c(C)c1
InChIInChI=1S/C14H12N2OS/c1-9-3-4-11(10(2)7-9)12-8-18-14(16-12)13-5-6-15-17-13/h3-8H,1-2H3
InChIKeyLPAYEEHRZCBNCD-UHFFFAOYSA-N
XLogP4.08
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-1,2-oxazole 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 5-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-1,2-oxazole?
The IUPAC name of 5-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-1,2-oxazole (CID 2742514) is 5-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-1,2-oxazole.
What is the SMILES notation for 5-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-1,2-oxazole?
The canonical SMILES for 5-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-1,2-oxazole is Cc1ccc(-c2csc(-c3ccno3)n2)c(C)c1.
What is the InChIKey of 5-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-1,2-oxazole?
The InChIKey is LPAYEEHRZCBNCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2OS/c1-9-3-4-11(10(2)7-9)12-8-18-14(16-12)13-5-6-15-17-13/h3-8H,1-2H3.
What are the key properties of 5-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-1,2-oxazole?
5-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-1,2-oxazole has a molecular weight of 256.33 g/mol, XLogP of 4.08, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-1,2-oxazole is sourced from PubChem (CID 2742514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).