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

C15H11F4NOS — CID 70294399

IUPAC(5-cyclopropyl-3-methyl-1,2-thiazol-4-yl)-[4-fluoro-2-(trifluoromethyl)phenyl]methanone
SMILESCc1nsc(C2CC2)c1C(=O)c1ccc(F)cc1C(F)(F)F
InChIInChI=1S/C15H11F4NOS/c1-7-12(14(22-20-7)8-2-3-8)13(21)10-5-4-9(16)6-11(10)15(17,18)19/h4-6,8H,2-3H2,1H3
InChIKeyWHPQLLMZSYIEBF-UHFFFAOYSA-N
MW329.32 g/mol
LogP4.72
Rot. Bonds3

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

(5-cyclopropyl-3-methyl-1,2-thiazol-4-yl)-[4-fluoro-2-(trifluoromethyl)phenyl]methanone (PubChem CID 70294399) has the molecular formula C15H11F4NOS and a molecular weight of 329.32 g/mol. Its IUPAC name is (5-cyclopropyl-3-methyl-1,2-thiazol-4-yl)-[4-fluoro-2-(trifluoromethyl)phenyl]methanone.

Molecular Properties

Compound Name(5-cyclopropyl-3-methyl-1,2-thiazol-4-yl)-[4-fluoro-2-(trifluoromethyl)phenyl]methanone
PubChem CID70294399
Molecular FormulaC15H11F4NOS
Molecular Weight329.32 g/mol
Exact Mass329.05
IUPAC Name(5-cyclopropyl-3-methyl-1,2-thiazol-4-yl)-[4-fluoro-2-(trifluoromethyl)phenyl]methanone
SMILESCc1nsc(C2CC2)c1C(=O)c1ccc(F)cc1C(F)(F)F
InChIInChI=1S/C15H11F4NOS/c1-7-12(14(22-20-7)8-2-3-8)13(21)10-5-4-9(16)6-11(10)15(17,18)19/h4-6,8H,2-3H2,1H3
InChIKeyWHPQLLMZSYIEBF-UHFFFAOYSA-N
XLogP4.72
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.32
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5-cyclopropyl-3-methyl-1,2-thiazol-4-yl)-[4-fluoro-2-(trifluoromethyl)phenyl]methanone?
The IUPAC name of (5-cyclopropyl-3-methyl-1,2-thiazol-4-yl)-[4-fluoro-2-(trifluoromethyl)phenyl]methanone (CID 70294399) is (5-cyclopropyl-3-methyl-1,2-thiazol-4-yl)-[4-fluoro-2-(trifluoromethyl)phenyl]methanone.
What is the SMILES notation for (5-cyclopropyl-3-methyl-1,2-thiazol-4-yl)-[4-fluoro-2-(trifluoromethyl)phenyl]methanone?
The canonical SMILES for (5-cyclopropyl-3-methyl-1,2-thiazol-4-yl)-[4-fluoro-2-(trifluoromethyl)phenyl]methanone is Cc1nsc(C2CC2)c1C(=O)c1ccc(F)cc1C(F)(F)F.
What is the InChIKey of (5-cyclopropyl-3-methyl-1,2-thiazol-4-yl)-[4-fluoro-2-(trifluoromethyl)phenyl]methanone?
The InChIKey is WHPQLLMZSYIEBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F4NOS/c1-7-12(14(22-20-7)8-2-3-8)13(21)10-5-4-9(16)6-11(10)15(17,18)19/h4-6,8H,2-3H2,1H3.
What are the key properties of (5-cyclopropyl-3-methyl-1,2-thiazol-4-yl)-[4-fluoro-2-(trifluoromethyl)phenyl]methanone?
(5-cyclopropyl-3-methyl-1,2-thiazol-4-yl)-[4-fluoro-2-(trifluoromethyl)phenyl]methanone has a molecular weight of 329.32 g/mol, XLogP of 4.72, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-cyclopropyl-3-methyl-1,2-thiazol-4-yl)-[4-fluoro-2-(trifluoromethyl)phenyl]methanone is sourced from PubChem (CID 70294399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).