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

C8H4F3N3OS — CID 106787596

IUPAC6-[2-(trifluoromethyl)-1,3-thiazol-5-yl]-1H-pyrimidin-2-one
SMILESO=c1nccc(-c2cnc(C(F)(F)F)s2)[nH]1
InChIInChI=1S/C8H4F3N3OS/c9-8(10,11)6-13-3-5(16-6)4-1-2-12-7(15)14-4/h1-3H,(H,12,14,15)
InChIKeyCNBDELJFYOWFQZ-UHFFFAOYSA-N
MW247.20 g/mol
LogP1.91
Rot. Bonds1

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

6-[2-(trifluoromethyl)-1,3-thiazol-5-yl]-1H-pyrimidin-2-one (PubChem CID 106787596) has the molecular formula C8H4F3N3OS and a molecular weight of 247.20 g/mol. Its IUPAC name is 6-[2-(trifluoromethyl)-1,3-thiazol-5-yl]-1H-pyrimidin-2-one.

Molecular Properties

Compound Name6-[2-(trifluoromethyl)-1,3-thiazol-5-yl]-1H-pyrimidin-2-one
PubChem CID106787596
Molecular FormulaC8H4F3N3OS
Molecular Weight247.20 g/mol
Exact Mass247.00
IUPAC Name6-[2-(trifluoromethyl)-1,3-thiazol-5-yl]-1H-pyrimidin-2-one
SMILESO=c1nccc(-c2cnc(C(F)(F)F)s2)[nH]1
InChIInChI=1S/C8H4F3N3OS/c9-8(10,11)6-13-3-5(16-6)4-1-2-12-7(15)14-4/h1-3H,(H,12,14,15)
InChIKeyCNBDELJFYOWFQZ-UHFFFAOYSA-N
XLogP1.91
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.20
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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
5-fluoro-6-[2-(trifluoromethyl)-1,3-thiazol-5-yl]-1H-pyrimidine-2-thione
CID 106787590
2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]-1H-pyridin-4-one
CID 106787600
6-[2-(trifluoromethyl)-1,3-thiazol-5-yl]-1H-pyridin-2-one
CID 106787609
6-[2-(trifluoromethyl)-1,3-thiazol-5-yl]-1H-pyrimidine-2-thione
CID 106787614
6-[2-(trifluoromethyl)-1,3-thiazol-5-yl]-1H-pyrimidine-4-thione
CID 106787616
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
2-ethyl-6-[2-(trifluoromethyl)-1,3-thiazol-5-yl]-1H-pyrimidine-4-thione
CID 106787639
2-(trifluoromethyl)-6-[2-(trifluoromethyl)-1,3-thiazol-5-yl]-1H-pyrimidine-4-thione
CID 106787655

Frequently Asked Questions

What is the IUPAC name of 6-[2-(trifluoromethyl)-1,3-thiazol-5-yl]-1H-pyrimidin-2-one?
The IUPAC name of 6-[2-(trifluoromethyl)-1,3-thiazol-5-yl]-1H-pyrimidin-2-one (CID 106787596) is 6-[2-(trifluoromethyl)-1,3-thiazol-5-yl]-1H-pyrimidin-2-one.
What is the SMILES notation for 6-[2-(trifluoromethyl)-1,3-thiazol-5-yl]-1H-pyrimidin-2-one?
The canonical SMILES for 6-[2-(trifluoromethyl)-1,3-thiazol-5-yl]-1H-pyrimidin-2-one is O=c1nccc(-c2cnc(C(F)(F)F)s2)[nH]1.
What is the InChIKey of 6-[2-(trifluoromethyl)-1,3-thiazol-5-yl]-1H-pyrimidin-2-one?
The InChIKey is CNBDELJFYOWFQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4F3N3OS/c9-8(10,11)6-13-3-5(16-6)4-1-2-12-7(15)14-4/h1-3H,(H,12,14,15).
What are the key properties of 6-[2-(trifluoromethyl)-1,3-thiazol-5-yl]-1H-pyrimidin-2-one?
6-[2-(trifluoromethyl)-1,3-thiazol-5-yl]-1H-pyrimidin-2-one has a molecular weight of 247.20 g/mol, XLogP of 1.91, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(trifluoromethyl)-1,3-thiazol-5-yl]-1H-pyrimidin-2-one is sourced from PubChem (CID 106787596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).