6-[2-(trifluoromethyl)-1,3-thiazol-5-yl]-1H-pyridin-2-one

C9H5F3N2OS — CID 106787609

IUPAC6-[2-(trifluoromethyl)-1,3-thiazol-5-yl]-1H-pyridin-2-one
SMILESO=c1cccc(-c2cnc(C(F)(F)F)s2)[nH]1
InChIInChI=1S/C9H5F3N2OS/c10-9(11,12)8-13-4-6(16-8)5-2-1-3-7(15)14-5/h1-4H,(H,14,15)
InChIKeyBLMMJWKTUJIXJR-UHFFFAOYSA-N
MW246.21 g/mol
LogP2.52
Rot. Bonds1

About 6-[2-(trifluoromethyl)-1,3-thiazol-5-yl]-1H-pyridin-2-one

6-[2-(trifluoromethyl)-1,3-thiazol-5-yl]-1H-pyridin-2-one (PubChem CID 106787609) has the molecular formula C9H5F3N2OS and a molecular weight of 246.21 g/mol. Its IUPAC name is 6-[2-(trifluoromethyl)-1,3-thiazol-5-yl]-1H-pyridin-2-one.

Molecular Properties

Compound Name6-[2-(trifluoromethyl)-1,3-thiazol-5-yl]-1H-pyridin-2-one
PubChem CID106787609
Molecular FormulaC9H5F3N2OS
Molecular Weight246.21 g/mol
Exact Mass246.01
IUPAC Name6-[2-(trifluoromethyl)-1,3-thiazol-5-yl]-1H-pyridin-2-one
SMILESO=c1cccc(-c2cnc(C(F)(F)F)s2)[nH]1
InChIInChI=1S/C9H5F3N2OS/c10-9(11,12)8-13-4-6(16-8)5-2-1-3-7(15)14-5/h1-4H,(H,14,15)
InChIKeyBLMMJWKTUJIXJR-UHFFFAOYSA-N
XLogP2.52
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.21
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5,5-difluorocyclohexa-1,3-dien-1-yl)-1,3-thiazole-5-carboxamide
CID 142697276
N-[1-(2,2-difluoroethyl)-5-fluoro-6-oxopyridin-3-yl]-2-(trifluoromethyl)-1,3-thiazole-5-carboxamide
CID 146323442
N-[(2S)-but-3-en-2-yl]-2-oxo-6-[2-(trifluoromethyl)-1,3-thiazol-5-yl]-1H-pyridine-3-carboxamide;scandium;dihydrate
CID 168205567
(Z)-2-amino-N-methyl-3-[2-(trifluoromethyl)-1,3-thiazol-5-yl]prop-2-enamide
CID 178688998
1-[(2-Chloro-1,3-thiazol-5-yl)methyl]-6-(trifluoromethyl)pyridin-2-one
CID 81318682
4-(trifluoromethyl)-6-[2-(trifluoromethyl)-1,3-thiazol-5-yl]-1H-pyridine-2-thione
CID 106787570
6-[2-(trifluoromethyl)-1,3-thiazol-5-yl]-1H-pyrazin-2-one
CID 106787580
4-(trifluoromethyl)-6-[2-(trifluoromethyl)-1,3-thiazol-5-yl]-1H-pyridin-2-one
CID 106787589
6-[2-(trifluoromethyl)-1,3-thiazol-5-yl]-1H-pyrimidin-2-one
CID 106787596
2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]-1H-pyridin-4-one
CID 106787600
2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]-1H-pyridine-4-thione
CID 106787623
6-[2-(trifluoromethyl)-1,3-thiazol-5-yl]-1H-pyridine-2-thione
CID 106787635

Frequently Asked Questions

What is the IUPAC name of 6-[2-(trifluoromethyl)-1,3-thiazol-5-yl]-1H-pyridin-2-one?
The IUPAC name of 6-[2-(trifluoromethyl)-1,3-thiazol-5-yl]-1H-pyridin-2-one (CID 106787609) is 6-[2-(trifluoromethyl)-1,3-thiazol-5-yl]-1H-pyridin-2-one.
What is the SMILES notation for 6-[2-(trifluoromethyl)-1,3-thiazol-5-yl]-1H-pyridin-2-one?
The canonical SMILES for 6-[2-(trifluoromethyl)-1,3-thiazol-5-yl]-1H-pyridin-2-one is O=c1cccc(-c2cnc(C(F)(F)F)s2)[nH]1.
What is the InChIKey of 6-[2-(trifluoromethyl)-1,3-thiazol-5-yl]-1H-pyridin-2-one?
The InChIKey is BLMMJWKTUJIXJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5F3N2OS/c10-9(11,12)8-13-4-6(16-8)5-2-1-3-7(15)14-5/h1-4H,(H,14,15).
What are the key properties of 6-[2-(trifluoromethyl)-1,3-thiazol-5-yl]-1H-pyridin-2-one?
6-[2-(trifluoromethyl)-1,3-thiazol-5-yl]-1H-pyridin-2-one has a molecular weight of 246.21 g/mol, XLogP of 2.52, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(trifluoromethyl)-1,3-thiazol-5-yl]-1H-pyridin-2-one is sourced from PubChem (CID 106787609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).