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

C14H10F3NOS — CID 106782483

IUPAC(1-phenylcyclopropyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone
SMILESO=C(c1cnc(C(F)(F)F)s1)C1(c2ccccc2)CC1
InChIInChI=1S/C14H10F3NOS/c15-14(16,17)12-18-8-10(20-12)11(19)13(6-7-13)9-4-2-1-3-5-9/h1-5,8H,6-7H2
InChIKeyHNPOYDXLNUFCPZ-UHFFFAOYSA-N
MW297.30 g/mol
LogP4.08
Rot. Bonds3

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

(1-phenylcyclopropyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone (PubChem CID 106782483) has the molecular formula C14H10F3NOS and a molecular weight of 297.30 g/mol. Its IUPAC name is (1-phenylcyclopropyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone.

Molecular Properties

Compound Name(1-phenylcyclopropyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone
PubChem CID106782483
Molecular FormulaC14H10F3NOS
Molecular Weight297.30 g/mol
Exact Mass297.04
IUPAC Name(1-phenylcyclopropyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone
SMILESO=C(c1cnc(C(F)(F)F)s1)C1(c2ccccc2)CC1
InChIInChI=1S/C14H10F3NOS/c15-14(16,17)12-18-8-10(20-12)11(19)13(6-7-13)9-4-2-1-3-5-9/h1-5,8H,6-7H2
InChIKeyHNPOYDXLNUFCPZ-UHFFFAOYSA-N
XLogP4.08
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 ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (1-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 (1-phenylcyclopropyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone?
The IUPAC name of (1-phenylcyclopropyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone (CID 106782483) is (1-phenylcyclopropyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone.
What is the SMILES notation for (1-phenylcyclopropyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone?
The canonical SMILES for (1-phenylcyclopropyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone is O=C(c1cnc(C(F)(F)F)s1)C1(c2ccccc2)CC1.
What is the InChIKey of (1-phenylcyclopropyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone?
The InChIKey is HNPOYDXLNUFCPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F3NOS/c15-14(16,17)12-18-8-10(20-12)11(19)13(6-7-13)9-4-2-1-3-5-9/h1-5,8H,6-7H2.
What are the key properties of (1-phenylcyclopropyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone?
(1-phenylcyclopropyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone has a molecular weight of 297.30 g/mol, XLogP of 4.08, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-phenylcyclopropyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone is sourced from PubChem (CID 106782483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).