1-(1,3-thiazol-2-yl)-4-[6-(trifluoromethyl)pyridine-3-carbonyl]piperazin-2-one

C14H11F3N4O2S — CID 134160669

IUPAC1-(1,3-thiazol-2-yl)-4-[6-(trifluoromethyl)pyridine-3-carbonyl]piperazin-2-one
SMILESO=C(c1ccc(C(F)(F)F)nc1)N1CCN(c2nccs2)C(=O)C1
InChIInChI=1S/C14H11F3N4O2S/c15-14(16,17)10-2-1-9(7-19-10)12(23)20-4-5-21(11(22)8-20)13-18-3-6-24-13/h1-3,6-7H,4-5,8H2
InChIKeyNZKNMRHGWQKVKY-UHFFFAOYSA-N
MW356.33 g/mol
LogP2.05
Rot. Bonds2

About 1-(1,3-thiazol-2-yl)-4-[6-(trifluoromethyl)pyridine-3-carbonyl]piperazin-2-one

1-(1,3-thiazol-2-yl)-4-[6-(trifluoromethyl)pyridine-3-carbonyl]piperazin-2-one (PubChem CID 134160669) has the molecular formula C14H11F3N4O2S and a molecular weight of 356.33 g/mol. Its IUPAC name is 1-(1,3-thiazol-2-yl)-4-[6-(trifluoromethyl)pyridine-3-carbonyl]piperazin-2-one.

Molecular Properties

Compound Name1-(1,3-thiazol-2-yl)-4-[6-(trifluoromethyl)pyridine-3-carbonyl]piperazin-2-one
PubChem CID134160669
Molecular FormulaC14H11F3N4O2S
Molecular Weight356.33 g/mol
Exact Mass356.06
IUPAC Name1-(1,3-thiazol-2-yl)-4-[6-(trifluoromethyl)pyridine-3-carbonyl]piperazin-2-one
SMILESO=C(c1ccc(C(F)(F)F)nc1)N1CCN(c2nccs2)C(=O)C1
InChIInChI=1S/C14H11F3N4O2S/c15-14(16,17)10-2-1-9(7-19-10)12(23)20-4-5-21(11(22)8-20)13-18-3-6-24-13/h1-3,6-7H,4-5,8H2
InChIKeyNZKNMRHGWQKVKY-UHFFFAOYSA-N
XLogP2.05
TPSA66.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.33
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

phenyl-[4-[6-(trifluoromethyl)pyridine-3-carbonyl]piperazin-1-yl]methanone
CID 33497333
2-methyl-6-[3-oxo-4-(1,3-thiazol-2-yl)piperazine-1-carbonyl]pyridazin-3-one
CID 134160727
4-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-1-(1,3-thiazol-2-yl)piperazin-2-one
CID 134160705
1,3-thiazolidin-3-yl-[6-(trifluoromethyl)-3-pyridinyl]methanone
CID 122332091
3-oxo-4-(1,3-thiazol-2-yl)-N-thiophen-2-ylpiperazine-1-carboxamide
CID 134161663
(4-hydroxypiperidin-1-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanone
CID 43424156
(3-hydroxypyrrolidin-1-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanone
CID 62917121
(4-aminopiperidin-1-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanone;dihydrochloride
CID 119375608
[3-(methylamino)pyrrolidin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone;dihydrochloride
CID 119413882
3-[1-[6-(trifluoromethyl)pyridine-3-carbonyl]piperidin-4-yl]cyclobutan-1-one
CID 138978128
N-(2-methylphenyl)-3-oxo-4-(1,3-thiazol-2-yl)piperazine-1-carboxamide
CID 134161199
[3-(methylamino)piperidin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone;dihydrochloride
CID 119491784

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-thiazol-2-yl)-4-[6-(trifluoromethyl)pyridine-3-carbonyl]piperazin-2-one?
The IUPAC name of 1-(1,3-thiazol-2-yl)-4-[6-(trifluoromethyl)pyridine-3-carbonyl]piperazin-2-one (CID 134160669) is 1-(1,3-thiazol-2-yl)-4-[6-(trifluoromethyl)pyridine-3-carbonyl]piperazin-2-one.
What is the SMILES notation for 1-(1,3-thiazol-2-yl)-4-[6-(trifluoromethyl)pyridine-3-carbonyl]piperazin-2-one?
The canonical SMILES for 1-(1,3-thiazol-2-yl)-4-[6-(trifluoromethyl)pyridine-3-carbonyl]piperazin-2-one is O=C(c1ccc(C(F)(F)F)nc1)N1CCN(c2nccs2)C(=O)C1.
What is the InChIKey of 1-(1,3-thiazol-2-yl)-4-[6-(trifluoromethyl)pyridine-3-carbonyl]piperazin-2-one?
The InChIKey is NZKNMRHGWQKVKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F3N4O2S/c15-14(16,17)10-2-1-9(7-19-10)12(23)20-4-5-21(11(22)8-20)13-18-3-6-24-13/h1-3,6-7H,4-5,8H2.
What are the key properties of 1-(1,3-thiazol-2-yl)-4-[6-(trifluoromethyl)pyridine-3-carbonyl]piperazin-2-one?
1-(1,3-thiazol-2-yl)-4-[6-(trifluoromethyl)pyridine-3-carbonyl]piperazin-2-one has a molecular weight of 356.33 g/mol, XLogP of 2.05, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-thiazol-2-yl)-4-[6-(trifluoromethyl)pyridine-3-carbonyl]piperazin-2-one is sourced from PubChem (CID 134160669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).