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

C10H4F6N2OS — CID 106787589

IUPAC4-(trifluoromethyl)-6-[2-(trifluoromethyl)-1,3-thiazol-5-yl]-1H-pyridin-2-one
SMILESO=c1cc(C(F)(F)F)cc(-c2cnc(C(F)(F)F)s2)[nH]1
InChIInChI=1S/C10H4F6N2OS/c11-9(12,13)4-1-5(18-7(19)2-4)6-3-17-8(20-6)10(14,15)16/h1-3H,(H,18,19)
InChIKeyHKSUGQHNBVZTPT-UHFFFAOYSA-N
MW314.21 g/mol
LogP3.54
Rot. Bonds1

About 4-(trifluoromethyl)-6-[2-(trifluoromethyl)-1,3-thiazol-5-yl]-1H-pyridin-2-one

4-(trifluoromethyl)-6-[2-(trifluoromethyl)-1,3-thiazol-5-yl]-1H-pyridin-2-one (PubChem CID 106787589) has the molecular formula C10H4F6N2OS and a molecular weight of 314.21 g/mol. Its IUPAC name is 4-(trifluoromethyl)-6-[2-(trifluoromethyl)-1,3-thiazol-5-yl]-1H-pyridin-2-one.

Molecular Properties

Compound Name4-(trifluoromethyl)-6-[2-(trifluoromethyl)-1,3-thiazol-5-yl]-1H-pyridin-2-one
PubChem CID106787589
Molecular FormulaC10H4F6N2OS
Molecular Weight314.21 g/mol
Exact Mass313.99
IUPAC Name4-(trifluoromethyl)-6-[2-(trifluoromethyl)-1,3-thiazol-5-yl]-1H-pyridin-2-one
SMILESO=c1cc(C(F)(F)F)cc(-c2cnc(C(F)(F)F)s2)[nH]1
InChIInChI=1S/C10H4F6N2OS/c11-9(12,13)4-1-5(18-7(19)2-4)6-3-17-8(20-6)10(14,15)16/h1-3H,(H,18,19)
InChIKeyHKSUGQHNBVZTPT-UHFFFAOYSA-N
XLogP3.54
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.21
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(trifluoromethyl)-6-[2-(trifluoromethyl)-1,3-thiazol-5-yl]-1H-pyridin-2-one?
The IUPAC name of 4-(trifluoromethyl)-6-[2-(trifluoromethyl)-1,3-thiazol-5-yl]-1H-pyridin-2-one (CID 106787589) is 4-(trifluoromethyl)-6-[2-(trifluoromethyl)-1,3-thiazol-5-yl]-1H-pyridin-2-one.
What is the SMILES notation for 4-(trifluoromethyl)-6-[2-(trifluoromethyl)-1,3-thiazol-5-yl]-1H-pyridin-2-one?
The canonical SMILES for 4-(trifluoromethyl)-6-[2-(trifluoromethyl)-1,3-thiazol-5-yl]-1H-pyridin-2-one is O=c1cc(C(F)(F)F)cc(-c2cnc(C(F)(F)F)s2)[nH]1.
What is the InChIKey of 4-(trifluoromethyl)-6-[2-(trifluoromethyl)-1,3-thiazol-5-yl]-1H-pyridin-2-one?
The InChIKey is HKSUGQHNBVZTPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H4F6N2OS/c11-9(12,13)4-1-5(18-7(19)2-4)6-3-17-8(20-6)10(14,15)16/h1-3H,(H,18,19).
What are the key properties of 4-(trifluoromethyl)-6-[2-(trifluoromethyl)-1,3-thiazol-5-yl]-1H-pyridin-2-one?
4-(trifluoromethyl)-6-[2-(trifluoromethyl)-1,3-thiazol-5-yl]-1H-pyridin-2-one has a molecular weight of 314.21 g/mol, XLogP of 3.54, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(trifluoromethyl)-6-[2-(trifluoromethyl)-1,3-thiazol-5-yl]-1H-pyridin-2-one is sourced from PubChem (CID 106787589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).