2-methoxy-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanone

Name: 2-methoxy-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanone — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₇H₆F₃NO₂S — CID 106782452

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPAC2-methoxy-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanone

SMILESCOCC(=O)c1cnc(C(F)(F)F)s1

InChIInChI=1S/C7H6F3NO2S/c1-13-3-4(12)5-2-11-6(14-5)7(8,9)10/h2H,3H2,1H3

InChIKeyBAVPQMJSZBNERF-UHFFFAOYSA-N

MW225.19 g/mol

LogP1.99

Rot. Bonds3

About 2-methoxy-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanone

2-methoxy-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanone (PubChem CID 106782452) has the molecular formula C₇H₆F₃NO₂S and a molecular weight of 225.19 g/mol. Its IUPAC name is 2-methoxy-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanone.

Molecular Properties

Compound Name	2-methoxy-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanone
PubChem CID	106782452
Molecular Formula	C₇H₆F₃NO₂S
Molecular Weight	225.19 g/mol
Exact Mass	225.01
IUPAC Name	2-methoxy-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanone
SMILES	COCC(=O)c1cnc(C(F)(F)F)s1
InChI	InChI=1S/C7H6F3NO2S/c1-13-3-4(12)5-2-11-6(14-5)7(8,9)10/h2H,3H2,1H3
InChIKey	BAVPQMJSZBNERF-UHFFFAOYSA-N
XLogP	1.99
TPSA	39.19 Å²
H-Bond Donors
H-Bond Acceptors	4
Rotatable Bonds	3
Heavy Atoms	14
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	225.19
LogP ≤ 5	1.99
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanone?

The IUPAC name of 2-methoxy-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanone (CID 106782452) is 2-methoxy-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanone.

What is the SMILES notation for 2-methoxy-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanone?

The canonical SMILES for 2-methoxy-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanone is COCC(=O)c1cnc(C(F)(F)F)s1.

What is the InChIKey of 2-methoxy-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanone?

The InChIKey is BAVPQMJSZBNERF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F3NO2S/c1-13-3-4(12)5-2-11-6(14-5)7(8,9)10/h2H,3H2,1H3.

What are the key properties of 2-methoxy-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanone?

2-methoxy-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanone has a molecular weight of 225.19 g/mol, XLogP of 1.99, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-methoxy-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanone is sourced from PubChem (CID 106782452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 106782452 — identifiers, structure, computed properties (public domain)

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