[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl] 2-phenyl-1,3-thiazole-4-carboxylate

C20H19N5O3S — CID 8542517

IUPAC[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl] 2-phenyl-1,3-thiazole-4-carboxylate
SMILESO=C(OCC(=O)N1CCN(c2ncccn2)CC1)c1csc(-c2ccccc2)n1
InChIInChI=1S/C20H19N5O3S/c26-17(24-9-11-25(12-10-24)20-21-7-4-8-22-20)13-28-19(27)16-14-29-18(23-16)15-5-2-1-3-6-15/h1-8,14H,9-13H2
InChIKeyOVYGCTUOKJMMHZ-UHFFFAOYSA-N
MW409.47 g/mol
LogP2.11
Rot. Bonds5

About [2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl] 2-phenyl-1,3-thiazole-4-carboxylate

[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl] 2-phenyl-1,3-thiazole-4-carboxylate (PubChem CID 8542517) has the molecular formula C20H19N5O3S and a molecular weight of 409.47 g/mol. Its IUPAC name is [2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl] 2-phenyl-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Name[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl] 2-phenyl-1,3-thiazole-4-carboxylate
PubChem CID8542517
Molecular FormulaC20H19N5O3S
Molecular Weight409.47 g/mol
Exact Mass409.12
IUPAC Name[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl] 2-phenyl-1,3-thiazole-4-carboxylate
SMILESO=C(OCC(=O)N1CCN(c2ncccn2)CC1)c1csc(-c2ccccc2)n1
InChIInChI=1S/C20H19N5O3S/c26-17(24-9-11-25(12-10-24)20-21-7-4-8-22-20)13-28-19(27)16-14-29-18(23-16)15-5-2-1-3-6-15/h1-8,14H,9-13H2
InChIKeyOVYGCTUOKJMMHZ-UHFFFAOYSA-N
XLogP2.11
TPSA88.52 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.47
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

3-(2-phenyl-1,3-thiazol-4-yl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one
CID 110332890
[2-[(4aS,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-oxoethyl] 2-phenyl-1,3-thiazole-4-carboxylate
CID 8542495
[2-oxo-2-[4-(phenylcarbamoyl)piperazin-1-yl]ethyl] 2-thiophen-3-yl-1,3-thiazole-4-carboxylate
CID 24522768
2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 51216012
[2-(azocan-1-yl)-2-oxoethyl] 2-thiophen-3-yl-1,3-thiazole-4-carboxylate
CID 18122805
[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl] 4-methoxybenzoate
CID 9011210
[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl] 3-amino-4-chlorobenzoate
CID 9078959
2-(2-pyridin-3-yl-1,3-thiazol-4-yl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 39080939
[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl] 5-methylimidazo[1,2-a]pyridine-2-carboxylate
CID 40682092
[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl] 2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylate
CID 8575126
[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl] 4-formylbenzoate
CID 9019726
[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl] 2-(4-methoxyphenyl)-1,3-thiazole-4-carboxylate
CID 55406381

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl] 2-phenyl-1,3-thiazole-4-carboxylate?
The IUPAC name of [2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl] 2-phenyl-1,3-thiazole-4-carboxylate (CID 8542517) is [2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl] 2-phenyl-1,3-thiazole-4-carboxylate.
What is the SMILES notation for [2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl] 2-phenyl-1,3-thiazole-4-carboxylate?
The canonical SMILES for [2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl] 2-phenyl-1,3-thiazole-4-carboxylate is O=C(OCC(=O)N1CCN(c2ncccn2)CC1)c1csc(-c2ccccc2)n1.
What is the InChIKey of [2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl] 2-phenyl-1,3-thiazole-4-carboxylate?
The InChIKey is OVYGCTUOKJMMHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O3S/c26-17(24-9-11-25(12-10-24)20-21-7-4-8-22-20)13-28-19(27)16-14-29-18(23-16)15-5-2-1-3-6-15/h1-8,14H,9-13H2.
What are the key properties of [2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl] 2-phenyl-1,3-thiazole-4-carboxylate?
[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl] 2-phenyl-1,3-thiazole-4-carboxylate has a molecular weight of 409.47 g/mol, XLogP of 2.11, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl] 2-phenyl-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 8542517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).