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

C11H8F3N3OS — CID 170389082

IUPAC1-[2-pyrimidin-2-yl-4-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-one
SMILESCCC(=O)c1sc(-c2ncccn2)nc1C(F)(F)F
InChIInChI=1S/C11H8F3N3OS/c1-2-6(18)7-8(11(12,13)14)17-10(19-7)9-15-4-3-5-16-9/h3-5H,2H2,1H3
InChIKeyPBSZUKSNNPNLKV-UHFFFAOYSA-N
MW287.27 g/mol
LogP3.21
Rot. Bonds3

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

1-[2-pyrimidin-2-yl-4-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-one (PubChem CID 170389082) has the molecular formula C11H8F3N3OS and a molecular weight of 287.27 g/mol. Its IUPAC name is 1-[2-pyrimidin-2-yl-4-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-one.

Molecular Properties

Compound Name1-[2-pyrimidin-2-yl-4-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-one
PubChem CID170389082
Molecular FormulaC11H8F3N3OS
Molecular Weight287.27 g/mol
Exact Mass287.03
IUPAC Name1-[2-pyrimidin-2-yl-4-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-one
SMILESCCC(=O)c1sc(-c2ncccn2)nc1C(F)(F)F
InChIInChI=1S/C11H8F3N3OS/c1-2-6(18)7-8(11(12,13)14)17-10(19-7)9-15-4-3-5-16-9/h3-5H,2H2,1H3
InChIKeyPBSZUKSNNPNLKV-UHFFFAOYSA-N
XLogP3.21
TPSA55.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.27
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[2-pyrimidin-2-yl-4-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-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

2-Methyl-1-[2-pyrimidin-2-yl-4-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-one
CID 170389081
1-[4-(Difluoromethyl)-2-pyrimidin-2-yl-1,3-thiazol-5-yl]-2-ethylpentan-1-one
CID 175957868
Pyrimidin-4-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone
CID 106782495
(2-Methylpyrimidin-4-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone
CID 106782614
2,4-dimethyl-N-[[4-(trifluoromethyl)pyrimidin-2-yl]methyl]-1,3-thiazole-5-carboxamide
CID 122152850
4-methyl-N-prop-2-enyl-2-pyrimidin-2-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-carboxamide
CID 133594457
4-ethyl-N-{[4-methyl-6-(trifluoromethyl)-2-pyrimidinyl]methyl}-2-(2-pyrimidinyl)-1,3-thiazole-5-carboxamide
CID 154569739
4-ethyl-2-(2-pyrimidinyl)-N-{2-[(trifluoromethyl)thio]ethyl}-1,3-thiazole-5-carboxamide
CID 155502992
1-[4-Methyl-2-(2-pyrimidinylamino)-1,3-thiazol-5-yl]ethanone
CID 4465092
1-(Cyclopropylmethyl)-3-[4-methyl-5-(3-pyrimidin-2-ylpropanoyl)-1,3-thiazol-2-yl]imidazolidin-2-one
CID 58051081
1-(4-Methyl-2-pyrimidin-2-yl-1,3-thiazol-5-yl)ethanone
CID 61288621
1-[4-Methyl-2-[(4-methylpyrimidin-2-yl)amino]-1,3-thiazol-5-yl]propan-1-one
CID 142196660

Frequently Asked Questions

What is the IUPAC name of 1-[2-pyrimidin-2-yl-4-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-one?
The IUPAC name of 1-[2-pyrimidin-2-yl-4-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-one (CID 170389082) is 1-[2-pyrimidin-2-yl-4-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-one.
What is the SMILES notation for 1-[2-pyrimidin-2-yl-4-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-one?
The canonical SMILES for 1-[2-pyrimidin-2-yl-4-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-one is CCC(=O)c1sc(-c2ncccn2)nc1C(F)(F)F.
What is the InChIKey of 1-[2-pyrimidin-2-yl-4-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-one?
The InChIKey is PBSZUKSNNPNLKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F3N3OS/c1-2-6(18)7-8(11(12,13)14)17-10(19-7)9-15-4-3-5-16-9/h3-5H,2H2,1H3.
What are the key properties of 1-[2-pyrimidin-2-yl-4-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-one?
1-[2-pyrimidin-2-yl-4-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-one has a molecular weight of 287.27 g/mol, XLogP of 3.21, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-pyrimidin-2-yl-4-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-one is sourced from PubChem (CID 170389082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).