(2-phenylcyclopropyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone

C14H10F3NOS — CID 106784849

IUPAC(2-phenylcyclopropyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone
SMILESO=C(c1cnc(C(F)(F)F)s1)C1CC1c1ccccc1
InChIInChI=1S/C14H10F3NOS/c15-14(16,17)13-18-7-11(20-13)12(19)10-6-9(10)8-4-2-1-3-5-8/h1-5,7,9-10H,6H2
InChIKeyJRXLTDRVNNPOLT-UHFFFAOYSA-N
MW297.30 g/mol
LogP4.15
Rot. Bonds3

About (2-phenylcyclopropyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone

(2-phenylcyclopropyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone (PubChem CID 106784849) has the molecular formula C14H10F3NOS and a molecular weight of 297.30 g/mol. Its IUPAC name is (2-phenylcyclopropyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone.

Molecular Properties

Compound Name(2-phenylcyclopropyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone
PubChem CID106784849
Molecular FormulaC14H10F3NOS
Molecular Weight297.30 g/mol
Exact Mass297.04
IUPAC Name(2-phenylcyclopropyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone
SMILESO=C(c1cnc(C(F)(F)F)s1)C1CC1c1ccccc1
InChIInChI=1S/C14H10F3NOS/c15-14(16,17)13-18-7-11(20-13)12(19)10-6-9(10)8-4-2-1-3-5-8/h1-5,7,9-10H,6H2
InChIKeyJRXLTDRVNNPOLT-UHFFFAOYSA-N
XLogP4.15
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.30
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (2-phenylcyclopropyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone 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-phenylcyclopropyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone?
The IUPAC name of (2-phenylcyclopropyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone (CID 106784849) is (2-phenylcyclopropyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone.
What is the SMILES notation for (2-phenylcyclopropyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone?
The canonical SMILES for (2-phenylcyclopropyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone is O=C(c1cnc(C(F)(F)F)s1)C1CC1c1ccccc1.
What is the InChIKey of (2-phenylcyclopropyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone?
The InChIKey is JRXLTDRVNNPOLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F3NOS/c15-14(16,17)13-18-7-11(20-13)12(19)10-6-9(10)8-4-2-1-3-5-8/h1-5,7,9-10H,6H2.
What are the key properties of (2-phenylcyclopropyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone?
(2-phenylcyclopropyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone has a molecular weight of 297.30 g/mol, XLogP of 4.15, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-phenylcyclopropyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone is sourced from PubChem (CID 106784849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).