2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]-1H-pyridin-4-one

C9H5F3N2OS — CID 106787600

IUPAC2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]-1H-pyridin-4-one
SMILESO=c1cc[nH]c(-c2cnc(C(F)(F)F)s2)c1
InChIInChI=1S/C9H5F3N2OS/c10-9(11,12)8-14-4-7(16-8)6-3-5(15)1-2-13-6/h1-4H,(H,13,15)
InChIKeyBGHMQARENDKCNX-UHFFFAOYSA-N
MW246.21 g/mol
LogP2.52
Rot. Bonds1

About 2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]-1H-pyridin-4-one

2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]-1H-pyridin-4-one (PubChem CID 106787600) has the molecular formula C9H5F3N2OS and a molecular weight of 246.21 g/mol. Its IUPAC name is 2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]-1H-pyridin-4-one.

Molecular Properties

Compound Name2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]-1H-pyridin-4-one
PubChem CID106787600
Molecular FormulaC9H5F3N2OS
Molecular Weight246.21 g/mol
Exact Mass246.01
IUPAC Name2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]-1H-pyridin-4-one
SMILESO=c1cc[nH]c(-c2cnc(C(F)(F)F)s2)c1
InChIInChI=1S/C9H5F3N2OS/c10-9(11,12)8-14-4-7(16-8)6-3-5(15)1-2-13-6/h1-4H,(H,13,15)
InChIKeyBGHMQARENDKCNX-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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Frequently Asked Questions

What is the IUPAC name of 2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]-1H-pyridin-4-one?
The IUPAC name of 2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]-1H-pyridin-4-one (CID 106787600) is 2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]-1H-pyridin-4-one.
What is the SMILES notation for 2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]-1H-pyridin-4-one?
The canonical SMILES for 2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]-1H-pyridin-4-one is O=c1cc[nH]c(-c2cnc(C(F)(F)F)s2)c1.
What is the InChIKey of 2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]-1H-pyridin-4-one?
The InChIKey is BGHMQARENDKCNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5F3N2OS/c10-9(11,12)8-14-4-7(16-8)6-3-5(15)1-2-13-6/h1-4H,(H,13,15).
What are the key properties of 2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]-1H-pyridin-4-one?
2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]-1H-pyridin-4-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 2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]-1H-pyridin-4-one is sourced from PubChem (CID 106787600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).