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

C8H4F3N3OS — CID 106787601

IUPAC5-[2-(trifluoromethyl)-1,3-thiazol-5-yl]-1H-pyrimidin-6-one
SMILESO=c1[nH]cncc1-c1cnc(C(F)(F)F)s1
InChIInChI=1S/C8H4F3N3OS/c9-8(10,11)7-13-2-5(16-7)4-1-12-3-14-6(4)15/h1-3H,(H,12,14,15)
InChIKeyVCIVOSLPVWDPDD-UHFFFAOYSA-N
MW247.20 g/mol
LogP1.91
Rot. Bonds1

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

5-[2-(trifluoromethyl)-1,3-thiazol-5-yl]-1H-pyrimidin-6-one (PubChem CID 106787601) has the molecular formula C8H4F3N3OS and a molecular weight of 247.20 g/mol. Its IUPAC name is 5-[2-(trifluoromethyl)-1,3-thiazol-5-yl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-[2-(trifluoromethyl)-1,3-thiazol-5-yl]-1H-pyrimidin-6-one
PubChem CID106787601
Molecular FormulaC8H4F3N3OS
Molecular Weight247.20 g/mol
Exact Mass247.00
IUPAC Name5-[2-(trifluoromethyl)-1,3-thiazol-5-yl]-1H-pyrimidin-6-one
SMILESO=c1[nH]cncc1-c1cnc(C(F)(F)F)s1
InChIInChI=1S/C8H4F3N3OS/c9-8(10,11)7-13-2-5(16-7)4-1-12-3-14-6(4)15/h1-3H,(H,12,14,15)
InChIKeyVCIVOSLPVWDPDD-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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-ethyl-4-[2-(trifluoromethyl)-1,3-thiazol-5-yl]-1H-pyrimidin-6-one
CID 136696919
5-[3-(trifluoromethyl)phenyl]-1H-pyrimidin-6-one;hydrochloride
CID 141001712
3-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclohex-2-en-1-one
CID 106784131
3-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pyridin-2-amine
CID 106783896
5-[4-chloro-3-(trifluoromethyl)phenyl]-1H-pyrimidin-6-one
CID 122358498
[3-[2-(trifluoromethyl)-1,3-thiazol-5-yl]thiophen-2-yl]methanamine
CID 106783886
[2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]phenyl]methanamine
CID 106783883
5-(2-methylthiophen-3-yl)-1H-pyrimidin-6-one
CID 106522710
3-fluoro-5-(6-oxo-1H-pyrimidin-5-yl)benzoic acid
CID 106522847
5-(6-bromo-2-pyridinyl)-2-(trifluoromethyl)-1,3-thiazole
CID 106784270
2-methoxy-6-[2-(trifluoromethyl)-1,3-thiazol-5-yl]phenol
CID 106784585
5-(4-bromophenyl)-1H-pyrimidin-6-one
CID 106517913

Frequently Asked Questions

What is the IUPAC name of 5-[2-(trifluoromethyl)-1,3-thiazol-5-yl]-1H-pyrimidin-6-one?
The IUPAC name of 5-[2-(trifluoromethyl)-1,3-thiazol-5-yl]-1H-pyrimidin-6-one (CID 106787601) is 5-[2-(trifluoromethyl)-1,3-thiazol-5-yl]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-[2-(trifluoromethyl)-1,3-thiazol-5-yl]-1H-pyrimidin-6-one?
The canonical SMILES for 5-[2-(trifluoromethyl)-1,3-thiazol-5-yl]-1H-pyrimidin-6-one is O=c1[nH]cncc1-c1cnc(C(F)(F)F)s1.
What is the InChIKey of 5-[2-(trifluoromethyl)-1,3-thiazol-5-yl]-1H-pyrimidin-6-one?
The InChIKey is VCIVOSLPVWDPDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4F3N3OS/c9-8(10,11)7-13-2-5(16-7)4-1-12-3-14-6(4)15/h1-3H,(H,12,14,15).
What are the key properties of 5-[2-(trifluoromethyl)-1,3-thiazol-5-yl]-1H-pyrimidin-6-one?
5-[2-(trifluoromethyl)-1,3-thiazol-5-yl]-1H-pyrimidin-6-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 5-[2-(trifluoromethyl)-1,3-thiazol-5-yl]-1H-pyrimidin-6-one is sourced from PubChem (CID 106787601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).