2-methyl-5-[4-(trifluoromethoxy)phenyl]-1,3-thiazole

C11H8F3NOS — CID 44626793

IUPAC2-methyl-5-[4-(trifluoromethoxy)phenyl]-1,3-thiazole
SMILESCc1ncc(-c2ccc(OC(F)(F)F)cc2)s1
InChIInChI=1S/C11H8F3NOS/c1-7-15-6-10(17-7)8-2-4-9(5-3-8)16-11(12,13)14/h2-6H,1H3
InChIKeyYUBHBFYIMJUCQE-UHFFFAOYSA-N
MW259.25 g/mol
LogP4.02
Rot. Bonds2

About 2-methyl-5-[4-(trifluoromethoxy)phenyl]-1,3-thiazole

2-methyl-5-[4-(trifluoromethoxy)phenyl]-1,3-thiazole (PubChem CID 44626793) has the molecular formula C11H8F3NOS and a molecular weight of 259.25 g/mol. Its IUPAC name is 2-methyl-5-[4-(trifluoromethoxy)phenyl]-1,3-thiazole.

Molecular Properties

Compound Name2-methyl-5-[4-(trifluoromethoxy)phenyl]-1,3-thiazole
PubChem CID44626793
Molecular FormulaC11H8F3NOS
Molecular Weight259.25 g/mol
Exact Mass259.03
IUPAC Name2-methyl-5-[4-(trifluoromethoxy)phenyl]-1,3-thiazole
SMILESCc1ncc(-c2ccc(OC(F)(F)F)cc2)s1
InChIInChI=1S/C11H8F3NOS/c1-7-15-6-10(17-7)8-2-4-9(5-3-8)16-11(12,13)14/h2-6H,1H3
InChIKeyYUBHBFYIMJUCQE-UHFFFAOYSA-N
XLogP4.02
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.25
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-methyl-5-[4-(trifluoromethoxy)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 2-methyl-5-[4-(trifluoromethoxy)phenyl]-1,3-thiazole?
The IUPAC name of 2-methyl-5-[4-(trifluoromethoxy)phenyl]-1,3-thiazole (CID 44626793) is 2-methyl-5-[4-(trifluoromethoxy)phenyl]-1,3-thiazole.
What is the SMILES notation for 2-methyl-5-[4-(trifluoromethoxy)phenyl]-1,3-thiazole?
The canonical SMILES for 2-methyl-5-[4-(trifluoromethoxy)phenyl]-1,3-thiazole is Cc1ncc(-c2ccc(OC(F)(F)F)cc2)s1.
What is the InChIKey of 2-methyl-5-[4-(trifluoromethoxy)phenyl]-1,3-thiazole?
The InChIKey is YUBHBFYIMJUCQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F3NOS/c1-7-15-6-10(17-7)8-2-4-9(5-3-8)16-11(12,13)14/h2-6H,1H3.
What are the key properties of 2-methyl-5-[4-(trifluoromethoxy)phenyl]-1,3-thiazole?
2-methyl-5-[4-(trifluoromethoxy)phenyl]-1,3-thiazole has a molecular weight of 259.25 g/mol, XLogP of 4.02, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[4-(trifluoromethoxy)phenyl]-1,3-thiazole is sourced from PubChem (CID 44626793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).