(4R)-4-(2-pyridin-3-ylpiperazine-1-carbonyl)-1,3-thiazolidin-2-one

C13H16N4O2S — CID 120732061

IUPAC(4R)-4-(2-pyridin-3-ylpiperazine-1-carbonyl)-1,3-thiazolidin-2-one
SMILESO=C1N[C@H](C(=O)N2CCNCC2c2cccnc2)CS1
InChIInChI=1S/C13H16N4O2S/c18-12(10-8-20-13(19)16-10)17-5-4-15-7-11(17)9-2-1-3-14-6-9/h1-3,6,10-11,15H,4-5,7-8H2,(H,16,19)/t10-,11?/m0/s1
InChIKeyXEMKQPPGQLXTMK-VUWPPUDQSA-N
MW292.36 g/mol
LogP0.38
Rot. Bonds2

About (4R)-4-(2-pyridin-3-ylpiperazine-1-carbonyl)-1,3-thiazolidin-2-one

(4R)-4-(2-pyridin-3-ylpiperazine-1-carbonyl)-1,3-thiazolidin-2-one (PubChem CID 120732061) has the molecular formula C13H16N4O2S and a molecular weight of 292.36 g/mol. Its IUPAC name is (4R)-4-(2-pyridin-3-ylpiperazine-1-carbonyl)-1,3-thiazolidin-2-one.

Molecular Properties

Compound Name(4R)-4-(2-pyridin-3-ylpiperazine-1-carbonyl)-1,3-thiazolidin-2-one
PubChem CID120732061
Molecular FormulaC13H16N4O2S
Molecular Weight292.36 g/mol
Exact Mass292.10
IUPAC Name(4R)-4-(2-pyridin-3-ylpiperazine-1-carbonyl)-1,3-thiazolidin-2-one
SMILESO=C1N[C@H](C(=O)N2CCNCC2c2cccnc2)CS1
InChIInChI=1S/C13H16N4O2S/c18-12(10-8-20-13(19)16-10)17-5-4-15-7-11(17)9-2-1-3-14-6-9/h1-3,6,10-11,15H,4-5,7-8H2,(H,16,19)/t10-,11?/m0/s1
InChIKeyXEMKQPPGQLXTMK-VUWPPUDQSA-N
XLogP0.38
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thioester', 'substructure': 'N/A'}

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Related Compounds

(4R)-4-[2-(3-chlorophenyl)piperazine-1-carbonyl]-1,3-thiazolidin-2-one
CID 120803117
(2-pyridin-3-ylpiperazin-1-yl)-(thiolan-2-yl)methanone;hydrochloride
CID 120730417
3-[2-oxo-2-(2-pyridin-3-ylpiperazin-1-yl)ethyl]-1,3-thiazolidin-2-one
CID 120731146
1,4-dithian-2-yl-(2-pyridin-3-ylpiperazin-1-yl)methanone;hydrochloride
CID 120731635
(2-pyridin-3-ylpiperazin-1-yl)-(2,2,3,3-tetramethylcyclopropyl)methanone;hydrochloride
CID 120730545
(3-chloro-4-pyridinyl)-(2-pyridin-3-ylpiperazin-1-yl)methanone
CID 120730350
oxan-2-yl-(2-pyridin-3-ylpiperazin-1-yl)methanone;hydrochloride
CID 120729798
(3-aminopyrazin-2-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone
CID 120732345
(2-pyridin-3-ylpiperazin-1-yl)-thiophen-2-ylmethanone;hydrochloride
CID 120729292
(4R)-4-[2-(2-methoxyphenyl)piperazine-1-carbonyl]-1,3-thiazolidin-2-one;hydrochloride
CID 120735018
2-ethyl-1-(2-pyridin-3-ylpiperazin-1-yl)butan-1-one
CID 120731770
3-methyl-1-(2-pyridin-3-ylpiperazin-1-yl)butan-1-one;hydrochloride
CID 120731237

Frequently Asked Questions

What is the IUPAC name of (4R)-4-(2-pyridin-3-ylpiperazine-1-carbonyl)-1,3-thiazolidin-2-one?
The IUPAC name of (4R)-4-(2-pyridin-3-ylpiperazine-1-carbonyl)-1,3-thiazolidin-2-one (CID 120732061) is (4R)-4-(2-pyridin-3-ylpiperazine-1-carbonyl)-1,3-thiazolidin-2-one.
What is the SMILES notation for (4R)-4-(2-pyridin-3-ylpiperazine-1-carbonyl)-1,3-thiazolidin-2-one?
The canonical SMILES for (4R)-4-(2-pyridin-3-ylpiperazine-1-carbonyl)-1,3-thiazolidin-2-one is O=C1N[C@H](C(=O)N2CCNCC2c2cccnc2)CS1.
What is the InChIKey of (4R)-4-(2-pyridin-3-ylpiperazine-1-carbonyl)-1,3-thiazolidin-2-one?
The InChIKey is XEMKQPPGQLXTMK-VUWPPUDQSA-N. The full InChI is InChI=1S/C13H16N4O2S/c18-12(10-8-20-13(19)16-10)17-5-4-15-7-11(17)9-2-1-3-14-6-9/h1-3,6,10-11,15H,4-5,7-8H2,(H,16,19)/t10-,11?/m0/s1.
What are the key properties of (4R)-4-(2-pyridin-3-ylpiperazine-1-carbonyl)-1,3-thiazolidin-2-one?
(4R)-4-(2-pyridin-3-ylpiperazine-1-carbonyl)-1,3-thiazolidin-2-one has a molecular weight of 292.36 g/mol, XLogP of 0.38, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-(2-pyridin-3-ylpiperazine-1-carbonyl)-1,3-thiazolidin-2-one is sourced from PubChem (CID 120732061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).