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

C11H10F3N3OS — CID 136696920

IUPAC2-propyl-4-[2-(trifluoromethyl)-1,3-thiazol-5-yl]-1H-pyrimidin-6-one
SMILESCCCc1nc(-c2cnc(C(F)(F)F)s2)cc(=O)[nH]1
InChIInChI=1S/C11H10F3N3OS/c1-2-3-8-16-6(4-9(18)17-8)7-5-15-10(19-7)11(12,13)14/h4-5H,2-3H2,1H3,(H,16,17,18)
InChIKeyKJLHZDHNLZNXHI-UHFFFAOYSA-N
MW289.28 g/mol
LogP2.86
Rot. Bonds3

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

2-propyl-4-[2-(trifluoromethyl)-1,3-thiazol-5-yl]-1H-pyrimidin-6-one (PubChem CID 136696920) has the molecular formula C11H10F3N3OS and a molecular weight of 289.28 g/mol. Its IUPAC name is 2-propyl-4-[2-(trifluoromethyl)-1,3-thiazol-5-yl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-propyl-4-[2-(trifluoromethyl)-1,3-thiazol-5-yl]-1H-pyrimidin-6-one
PubChem CID136696920
Molecular FormulaC11H10F3N3OS
Molecular Weight289.28 g/mol
Exact Mass289.05
IUPAC Name2-propyl-4-[2-(trifluoromethyl)-1,3-thiazol-5-yl]-1H-pyrimidin-6-one
SMILESCCCc1nc(-c2cnc(C(F)(F)F)s2)cc(=O)[nH]1
InChIInChI=1S/C11H10F3N3OS/c1-2-3-8-16-6(4-9(18)17-8)7-5-15-10(19-7)11(12,13)14/h4-5H,2-3H2,1H3,(H,16,17,18)
InChIKeyKJLHZDHNLZNXHI-UHFFFAOYSA-N
XLogP2.86
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.28
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

7-[(E)-2-(2-methyl-1,3-thiazol-5-yl)ethenyl]-3-(trifluoromethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 20260494
7-[2-(2-Methyl-1,3-thiazol-5-yl)ethenyl]-3-(trifluoromethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 53798502
6-(Thiazol-5-yl)-2-(4-trifluoromethylthiazol-2-yl)pyrimidin-4-ol
CID 136136786
2-cyclopropyl-6-[2-(trifluoromethyl)-1,3-thiazol-5-yl]-1H-pyrimidine-4-thione
CID 106787572
2-tert-butyl-6-[2-(trifluoromethyl)-1,3-thiazol-5-yl]-1H-pyrimidine-4-thione
CID 106787574
2-(ethoxymethyl)-6-[2-(trifluoromethyl)-1,3-thiazol-5-yl]-1H-pyrimidine-4-thione
CID 106787576
4-(trifluoromethyl)-6-[2-(trifluoromethyl)-1,3-thiazol-5-yl]-1H-pyridin-2-one
CID 106787589
2-ethyl-5-methyl-6-[2-(trifluoromethyl)-1,3-thiazol-5-yl]-1H-pyrimidine-4-thione
CID 106787603
6-[2-(trifluoromethyl)-1,3-thiazol-5-yl]-1H-pyridin-2-one
CID 106787609
2-(methoxymethyl)-6-[2-(trifluoromethyl)-1,3-thiazol-5-yl]-1H-pyrimidine-4-thione
CID 106787618
2-ethyl-6-[2-(trifluoromethyl)-1,3-thiazol-5-yl]-1H-pyrimidine-4-thione
CID 106787639
5-methyl-2-propyl-6-[2-(trifluoromethyl)-1,3-thiazol-5-yl]-1H-pyrimidine-4-thione
CID 106787664

Frequently Asked Questions

What is the IUPAC name of 2-propyl-4-[2-(trifluoromethyl)-1,3-thiazol-5-yl]-1H-pyrimidin-6-one?
The IUPAC name of 2-propyl-4-[2-(trifluoromethyl)-1,3-thiazol-5-yl]-1H-pyrimidin-6-one (CID 136696920) is 2-propyl-4-[2-(trifluoromethyl)-1,3-thiazol-5-yl]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-propyl-4-[2-(trifluoromethyl)-1,3-thiazol-5-yl]-1H-pyrimidin-6-one?
The canonical SMILES for 2-propyl-4-[2-(trifluoromethyl)-1,3-thiazol-5-yl]-1H-pyrimidin-6-one is CCCc1nc(-c2cnc(C(F)(F)F)s2)cc(=O)[nH]1.
What is the InChIKey of 2-propyl-4-[2-(trifluoromethyl)-1,3-thiazol-5-yl]-1H-pyrimidin-6-one?
The InChIKey is KJLHZDHNLZNXHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3N3OS/c1-2-3-8-16-6(4-9(18)17-8)7-5-15-10(19-7)11(12,13)14/h4-5H,2-3H2,1H3,(H,16,17,18).
What are the key properties of 2-propyl-4-[2-(trifluoromethyl)-1,3-thiazol-5-yl]-1H-pyrimidin-6-one?
2-propyl-4-[2-(trifluoromethyl)-1,3-thiazol-5-yl]-1H-pyrimidin-6-one has a molecular weight of 289.28 g/mol, XLogP of 2.86, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propyl-4-[2-(trifluoromethyl)-1,3-thiazol-5-yl]-1H-pyrimidin-6-one is sourced from PubChem (CID 136696920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).