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

C10H8F3N3OS — CID 136696919

IUPAC5-ethyl-4-[2-(trifluoromethyl)-1,3-thiazol-5-yl]-1H-pyrimidin-6-one
SMILESCCc1c(-c2cnc(C(F)(F)F)s2)nc[nH]c1=O
InChIInChI=1S/C10H8F3N3OS/c1-2-5-7(15-4-16-8(5)17)6-3-14-9(18-6)10(11,12)13/h3-4H,2H2,1H3,(H,15,16,17)
InChIKeyJAHBTIFCVFMGJO-UHFFFAOYSA-N
MW275.25 g/mol
LogP2.47
Rot. Bonds2

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

5-ethyl-4-[2-(trifluoromethyl)-1,3-thiazol-5-yl]-1H-pyrimidin-6-one (PubChem CID 136696919) has the molecular formula C10H8F3N3OS and a molecular weight of 275.25 g/mol. Its IUPAC name is 5-ethyl-4-[2-(trifluoromethyl)-1,3-thiazol-5-yl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-ethyl-4-[2-(trifluoromethyl)-1,3-thiazol-5-yl]-1H-pyrimidin-6-one
PubChem CID136696919
Molecular FormulaC10H8F3N3OS
Molecular Weight275.25 g/mol
Exact Mass275.03
IUPAC Name5-ethyl-4-[2-(trifluoromethyl)-1,3-thiazol-5-yl]-1H-pyrimidin-6-one
SMILESCCc1c(-c2cnc(C(F)(F)F)s2)nc[nH]c1=O
InChIInChI=1S/C10H8F3N3OS/c1-2-5-7(15-4-16-8(5)17)6-3-14-9(18-6)10(11,12)13/h3-4H,2H2,1H3,(H,15,16,17)
InChIKeyJAHBTIFCVFMGJO-UHFFFAOYSA-N
XLogP2.47
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.25
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-ethyl-4-[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-[2-(trifluoromethyl)-1,3-thiazol-5-yl]-1H-pyrimidin-6-one
CID 106787601
5-ethyl-N-propyl-6-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pyrimidin-4-amine
CID 106784371
5-ethyl-4-(3-methylthiophen-2-yl)-1H-pyrimidin-6-one
CID 136769471
4-(4-tert-butylphenyl)-5-ethyl-1H-pyrimidin-6-one
CID 136692482
5-ethyl-4-(2,3,4-trifluorophenyl)-1H-pyrimidin-6-one
CID 136692786
5-ethyl-4-(1-methylpyrazol-4-yl)-1H-pyrimidin-6-one
CID 136692282
5-ethyl-4-(3-fluoro-5-methylphenyl)-1H-pyrimidin-6-one
CID 136955627
N-ethyl-5-fluoro-4-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pyrimidin-2-amine
CID 106784338
4-(2,5-dimethylphenyl)-5-ethyl-1H-pyrimidin-6-one
CID 136955513
5-ethyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid
CID 82097099
2-[6-oxo-4-(trifluoromethyl)-1H-pyrimidin-5-yl]acetic acid
CID 136758159
5-ethyl-4-(5-propoxy-3-pyridinyl)-1H-pyrimidin-6-one
CID 136769899

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-4-[2-(trifluoromethyl)-1,3-thiazol-5-yl]-1H-pyrimidin-6-one?
The IUPAC name of 5-ethyl-4-[2-(trifluoromethyl)-1,3-thiazol-5-yl]-1H-pyrimidin-6-one (CID 136696919) is 5-ethyl-4-[2-(trifluoromethyl)-1,3-thiazol-5-yl]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-ethyl-4-[2-(trifluoromethyl)-1,3-thiazol-5-yl]-1H-pyrimidin-6-one?
The canonical SMILES for 5-ethyl-4-[2-(trifluoromethyl)-1,3-thiazol-5-yl]-1H-pyrimidin-6-one is CCc1c(-c2cnc(C(F)(F)F)s2)nc[nH]c1=O.
What is the InChIKey of 5-ethyl-4-[2-(trifluoromethyl)-1,3-thiazol-5-yl]-1H-pyrimidin-6-one?
The InChIKey is JAHBTIFCVFMGJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F3N3OS/c1-2-5-7(15-4-16-8(5)17)6-3-14-9(18-6)10(11,12)13/h3-4H,2H2,1H3,(H,15,16,17).
What are the key properties of 5-ethyl-4-[2-(trifluoromethyl)-1,3-thiazol-5-yl]-1H-pyrimidin-6-one?
5-ethyl-4-[2-(trifluoromethyl)-1,3-thiazol-5-yl]-1H-pyrimidin-6-one has a molecular weight of 275.25 g/mol, XLogP of 2.47, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-4-[2-(trifluoromethyl)-1,3-thiazol-5-yl]-1H-pyrimidin-6-one is sourced from PubChem (CID 136696919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).