1-[2-(4-pyridin-2-ylpiperazin-1-yl)-1,3-thiazol-4-yl]ethanone

C14H16N4OS — CID 64544015

IUPAC1-[2-(4-pyridin-2-ylpiperazin-1-yl)-1,3-thiazol-4-yl]ethanone
SMILESCC(=O)c1csc(N2CCN(c3ccccn3)CC2)n1
InChIInChI=1S/C14H16N4OS/c1-11(19)12-10-20-14(16-12)18-8-6-17(7-9-18)13-4-2-3-5-15-13/h2-5,10H,6-9H2,1H3
InChIKeyFEBFQGKAKJSZGL-UHFFFAOYSA-N
MW288.38 g/mol
LogP2.07
Rot. Bonds3

About 1-[2-(4-pyridin-2-ylpiperazin-1-yl)-1,3-thiazol-4-yl]ethanone

1-[2-(4-pyridin-2-ylpiperazin-1-yl)-1,3-thiazol-4-yl]ethanone (PubChem CID 64544015) has the molecular formula C14H16N4OS and a molecular weight of 288.38 g/mol. Its IUPAC name is 1-[2-(4-pyridin-2-ylpiperazin-1-yl)-1,3-thiazol-4-yl]ethanone.

Molecular Properties

Compound Name1-[2-(4-pyridin-2-ylpiperazin-1-yl)-1,3-thiazol-4-yl]ethanone
PubChem CID64544015
Molecular FormulaC14H16N4OS
Molecular Weight288.38 g/mol
Exact Mass288.10
IUPAC Name1-[2-(4-pyridin-2-ylpiperazin-1-yl)-1,3-thiazol-4-yl]ethanone
SMILESCC(=O)c1csc(N2CCN(c3ccccn3)CC2)n1
InChIInChI=1S/C14H16N4OS/c1-11(19)12-10-20-14(16-12)18-8-6-17(7-9-18)13-4-2-3-5-15-13/h2-5,10H,6-9H2,1H3
InChIKeyFEBFQGKAKJSZGL-UHFFFAOYSA-N
XLogP2.07
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.38
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-morpholin-4-ylphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)-1,3-thiazole-4-carboxamide
CID 117085603
N-(pyridin-3-ylmethyl)-2-(4-pyridin-2-ylpiperazin-1-yl)-1,3-thiazole-4-carboxamide
CID 117080115
N-[2-(4-hydroxypiperidin-1-yl)phenyl]-2-(4-pyridin-2-ylpiperazin-1-yl)-1,3-thiazole-4-carboxamide
CID 59332171
2-(4-pyrimidin-2-ylpiperazin-1-yl)-1,3-thiazole-4-carboxylic acid
CID 80567945
4,5-dimethyl-2-(4-pyridin-2-ylpiperazin-1-yl)-1,3-thiazole
CID 171335410
1-(4-acetylpiperazin-1-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)ethane-1,2-dione
CID 108508501
1-(4-pyridin-2-yl-1,4-diazepan-1-yl)ethanone
CID 122598259
methyl 2-(4-pyridin-2-yloxypiperidin-1-yl)-1,3-thiazole-4-carboxylate
CID 70845805
[2-(aminomethyl)-1,3-thiazol-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone;dihydrochloride
CID 119828205
1-fluoro-4-pyridin-2-ylpiperazine
CID 143401045
3-(2-methyl-1,3-thiazol-4-yl)-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
CID 110332738
2-(4-phenylpiperazin-1-yl)-N-(pyridin-2-ylmethyl)-1,3-thiazole-4-carboxamide
CID 53200928

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-pyridin-2-ylpiperazin-1-yl)-1,3-thiazol-4-yl]ethanone?
The IUPAC name of 1-[2-(4-pyridin-2-ylpiperazin-1-yl)-1,3-thiazol-4-yl]ethanone (CID 64544015) is 1-[2-(4-pyridin-2-ylpiperazin-1-yl)-1,3-thiazol-4-yl]ethanone.
What is the SMILES notation for 1-[2-(4-pyridin-2-ylpiperazin-1-yl)-1,3-thiazol-4-yl]ethanone?
The canonical SMILES for 1-[2-(4-pyridin-2-ylpiperazin-1-yl)-1,3-thiazol-4-yl]ethanone is CC(=O)c1csc(N2CCN(c3ccccn3)CC2)n1.
What is the InChIKey of 1-[2-(4-pyridin-2-ylpiperazin-1-yl)-1,3-thiazol-4-yl]ethanone?
The InChIKey is FEBFQGKAKJSZGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4OS/c1-11(19)12-10-20-14(16-12)18-8-6-17(7-9-18)13-4-2-3-5-15-13/h2-5,10H,6-9H2,1H3.
What are the key properties of 1-[2-(4-pyridin-2-ylpiperazin-1-yl)-1,3-thiazol-4-yl]ethanone?
1-[2-(4-pyridin-2-ylpiperazin-1-yl)-1,3-thiazol-4-yl]ethanone has a molecular weight of 288.38 g/mol, XLogP of 2.07, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-pyridin-2-ylpiperazin-1-yl)-1,3-thiazol-4-yl]ethanone is sourced from PubChem (CID 64544015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).