(4R)-4-[2-(3-chlorophenyl)piperazine-1-carbonyl]-1,3-thiazolidin-2-one

C14H16ClN3O2S — CID 120803117

IUPAC(4R)-4-[2-(3-chlorophenyl)piperazine-1-carbonyl]-1,3-thiazolidin-2-one
SMILESO=C1N[C@H](C(=O)N2CCNCC2c2cccc(Cl)c2)CS1
InChIInChI=1S/C14H16ClN3O2S/c15-10-3-1-2-9(6-10)12-7-16-4-5-18(12)13(19)11-8-21-14(20)17-11/h1-3,6,11-12,16H,4-5,7-8H2,(H,17,20)/t11-,12?/m0/s1
InChIKeyVLWAVJXYFIGMEW-PXYINDEMSA-N
MW325.82 g/mol
LogP1.64
Rot. Bonds2

About (4R)-4-[2-(3-chlorophenyl)piperazine-1-carbonyl]-1,3-thiazolidin-2-one

(4R)-4-[2-(3-chlorophenyl)piperazine-1-carbonyl]-1,3-thiazolidin-2-one (PubChem CID 120803117) has the molecular formula C14H16ClN3O2S and a molecular weight of 325.82 g/mol. Its IUPAC name is (4R)-4-[2-(3-chlorophenyl)piperazine-1-carbonyl]-1,3-thiazolidin-2-one.

Molecular Properties

Compound Name(4R)-4-[2-(3-chlorophenyl)piperazine-1-carbonyl]-1,3-thiazolidin-2-one
PubChem CID120803117
Molecular FormulaC14H16ClN3O2S
Molecular Weight325.82 g/mol
Exact Mass325.07
IUPAC Name(4R)-4-[2-(3-chlorophenyl)piperazine-1-carbonyl]-1,3-thiazolidin-2-one
SMILESO=C1N[C@H](C(=O)N2CCNCC2c2cccc(Cl)c2)CS1
InChIInChI=1S/C14H16ClN3O2S/c15-10-3-1-2-9(6-10)12-7-16-4-5-18(12)13(19)11-8-21-14(20)17-11/h1-3,6,11-12,16H,4-5,7-8H2,(H,17,20)/t11-,12?/m0/s1
InChIKeyVLWAVJXYFIGMEW-PXYINDEMSA-N
XLogP1.64
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.82
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(4R)-4-(2-pyridin-3-ylpiperazine-1-carbonyl)-1,3-thiazolidin-2-one
CID 120732061
7-bicyclo[4.1.0]heptanyl-[2-(3-chlorophenyl)piperazin-1-yl]methanone
CID 120803541
5-[2-(3-chlorophenyl)piperazine-1-carbonyl]piperidin-2-one
CID 120802104
5-[2-(3-chlorophenyl)piperazine-1-carbonyl]piperidin-2-one;hydrochloride
CID 120802103
[2-(3-chlorophenyl)piperazin-1-yl]-(1,4-dithian-2-yl)methanone;hydrochloride
CID 120803118
[2-(3-chlorophenyl)piperazin-1-yl]-(3,3-difluorocyclobutyl)methanone
CID 120802294
[2-(3-chlorophenyl)piperazin-1-yl]-(1,1-dioxothiolan-3-yl)methanone
CID 120802900
[2-(3-chlorophenyl)piperazin-1-yl]-(oxolan-3-yl)methanone;hydrochloride
CID 120803594
[2-(3-chlorophenyl)piperazin-1-yl]-(5-chloro-2-pyridinyl)methanone
CID 120802965
1-[2-(3-chlorophenyl)piperazin-1-yl]-4,4-dimethylpentan-1-one;hydrochloride
CID 120803430
(4R)-4-[2-(2-methoxyphenyl)piperazine-1-carbonyl]-1,3-thiazolidin-2-one;hydrochloride
CID 120735018
1-[2-(3-chlorophenyl)piperazin-1-yl]-2-(4-fluorophenyl)ethanone
CID 120803593

Frequently Asked Questions

What is the IUPAC name of (4R)-4-[2-(3-chlorophenyl)piperazine-1-carbonyl]-1,3-thiazolidin-2-one?
The IUPAC name of (4R)-4-[2-(3-chlorophenyl)piperazine-1-carbonyl]-1,3-thiazolidin-2-one (CID 120803117) is (4R)-4-[2-(3-chlorophenyl)piperazine-1-carbonyl]-1,3-thiazolidin-2-one.
What is the SMILES notation for (4R)-4-[2-(3-chlorophenyl)piperazine-1-carbonyl]-1,3-thiazolidin-2-one?
The canonical SMILES for (4R)-4-[2-(3-chlorophenyl)piperazine-1-carbonyl]-1,3-thiazolidin-2-one is O=C1N[C@H](C(=O)N2CCNCC2c2cccc(Cl)c2)CS1.
What is the InChIKey of (4R)-4-[2-(3-chlorophenyl)piperazine-1-carbonyl]-1,3-thiazolidin-2-one?
The InChIKey is VLWAVJXYFIGMEW-PXYINDEMSA-N. The full InChI is InChI=1S/C14H16ClN3O2S/c15-10-3-1-2-9(6-10)12-7-16-4-5-18(12)13(19)11-8-21-14(20)17-11/h1-3,6,11-12,16H,4-5,7-8H2,(H,17,20)/t11-,12?/m0/s1.
What are the key properties of (4R)-4-[2-(3-chlorophenyl)piperazine-1-carbonyl]-1,3-thiazolidin-2-one?
(4R)-4-[2-(3-chlorophenyl)piperazine-1-carbonyl]-1,3-thiazolidin-2-one has a molecular weight of 325.82 g/mol, XLogP of 1.64, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[2-(3-chlorophenyl)piperazine-1-carbonyl]-1,3-thiazolidin-2-one is sourced from PubChem (CID 120803117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).