[5-[2-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methyl formate

C12H8F3NO2S — CID 90735538

IUPAC[5-[2-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methyl formate
SMILESO=COCc1ncsc1-c1ccccc1C(F)(F)F
InChIInChI=1S/C12H8F3NO2S/c13-12(14,15)9-4-2-1-3-8(9)11-10(5-18-7-17)16-6-19-11/h1-4,6-7H,5H2
InChIKeyUPNUTCFIBBXTEY-UHFFFAOYSA-N
MW287.26 g/mol
LogP3.50
Rot. Bonds4

About [5-[2-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methyl formate

[5-[2-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methyl formate (PubChem CID 90735538) has the molecular formula C12H8F3NO2S and a molecular weight of 287.26 g/mol. Its IUPAC name is [5-[2-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methyl formate.

Molecular Properties

Compound Name[5-[2-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methyl formate
PubChem CID90735538
Molecular FormulaC12H8F3NO2S
Molecular Weight287.26 g/mol
Exact Mass287.02
IUPAC Name[5-[2-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methyl formate
SMILESO=COCc1ncsc1-c1ccccc1C(F)(F)F
InChIInChI=1S/C12H8F3NO2S/c13-12(14,15)9-4-2-1-3-8(9)11-10(5-18-7-17)16-6-19-11/h1-4,6-7H,5H2
InChIKeyUPNUTCFIBBXTEY-UHFFFAOYSA-N
XLogP3.50
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.26
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze [5-[2-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methyl formate 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-[2-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methyl formate?
The IUPAC name of [5-[2-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methyl formate (CID 90735538) is [5-[2-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methyl formate.
What is the SMILES notation for [5-[2-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methyl formate?
The canonical SMILES for [5-[2-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methyl formate is O=COCc1ncsc1-c1ccccc1C(F)(F)F.
What is the InChIKey of [5-[2-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methyl formate?
The InChIKey is UPNUTCFIBBXTEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8F3NO2S/c13-12(14,15)9-4-2-1-3-8(9)11-10(5-18-7-17)16-6-19-11/h1-4,6-7H,5H2.
What are the key properties of [5-[2-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methyl formate?
[5-[2-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methyl formate has a molecular weight of 287.26 g/mol, XLogP of 3.50, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[2-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methyl formate is sourced from PubChem (CID 90735538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).