(4R)-4-[2-(2-methoxyphenyl)piperazine-1-carbonyl]-1,3-thiazolidin-2-one;hydrochloride

C15H20ClN3O3S — CID 120735018

IUPAC(4R)-4-[2-(2-methoxyphenyl)piperazine-1-carbonyl]-1,3-thiazolidin-2-one;hydrochloride
SMILESCOc1ccccc1C1CNCCN1C(=O)[C@@H]1CSC(=O)N1.Cl
InChIInChI=1S/C15H19N3O3S.ClH/c1-21-13-5-3-2-4-10(13)12-8-16-6-7-18(12)14(19)11-9-22-15(20)17-11;/h2-5,11-12,16H,6-9H2,1H3,(H,17,20);1H/t11-,12?;/m0./s1
InChIKeyFZNFPIPSVMDUHI-YLIVSKOQSA-N
MW357.86 g/mol
LogP1.41
Rot. Bonds3

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

(4R)-4-[2-(2-methoxyphenyl)piperazine-1-carbonyl]-1,3-thiazolidin-2-one;hydrochloride (PubChem CID 120735018) has the molecular formula C15H20ClN3O3S and a molecular weight of 357.86 g/mol. Its IUPAC name is (4R)-4-[2-(2-methoxyphenyl)piperazine-1-carbonyl]-1,3-thiazolidin-2-one;hydrochloride.

Molecular Properties

Compound Name(4R)-4-[2-(2-methoxyphenyl)piperazine-1-carbonyl]-1,3-thiazolidin-2-one;hydrochloride
PubChem CID120735018
Molecular FormulaC15H20ClN3O3S
Molecular Weight357.86 g/mol
Exact Mass357.09
IUPAC Name(4R)-4-[2-(2-methoxyphenyl)piperazine-1-carbonyl]-1,3-thiazolidin-2-one;hydrochloride
SMILESCOc1ccccc1C1CNCCN1C(=O)[C@@H]1CSC(=O)N1.Cl
InChIInChI=1S/C15H19N3O3S.ClH/c1-21-13-5-3-2-4-10(13)12-8-16-6-7-18(12)14(19)11-9-22-15(20)17-11;/h2-5,11-12,16H,6-9H2,1H3,(H,17,20);1H/t11-,12?;/m0./s1
InChIKeyFZNFPIPSVMDUHI-YLIVSKOQSA-N
XLogP1.41
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.86
LogP ≤ 51.41
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

5-[2-(2-methoxyphenyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 120733049
cycloheptyl-[2-(2-methoxyphenyl)piperazin-1-yl]methanone;hydrochloride
CID 120735372
[2-(2-methoxyphenyl)piperazin-1-yl]-(1-methylpiperidin-4-yl)methanone;dihydrochloride
CID 120733424
1-[2-[2-(2-methoxyphenyl)piperazine-1-carbonyl]pyrrolidin-1-yl]ethanone;hydrochloride
CID 120732946
3-[2-[2-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazolidin-2-one;hydrochloride
CID 120734352
1-[4-[2-(2-methoxyphenyl)piperazine-1-carbonyl]piperidin-1-yl]butan-1-one
CID 120734234
[2-(2-methoxyphenyl)piperazin-1-yl]-(1,2,3,4-tetrahydronaphthalen-1-yl)methanone
CID 120733877
1-tert-butyl-4-[2-(2-methoxyphenyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 120735351
(4R)-4-(2-pyridin-3-ylpiperazine-1-carbonyl)-1,3-thiazolidin-2-one
CID 120732061
[2-(2-methoxyphenyl)piperazin-1-yl]-pyridin-3-ylmethanone;dihydrochloride
CID 120732780
2-cyclopentyloxy-1-[2-(2-methoxyphenyl)piperazin-1-yl]ethanone;hydrochloride
CID 120735006
[1-(furan-3-carbonyl)piperidin-4-yl]-[2-(2-methoxyphenyl)piperazin-1-yl]methanone;hydrochloride
CID 120734626

Frequently Asked Questions

What is the IUPAC name of (4R)-4-[2-(2-methoxyphenyl)piperazine-1-carbonyl]-1,3-thiazolidin-2-one;hydrochloride?
The IUPAC name of (4R)-4-[2-(2-methoxyphenyl)piperazine-1-carbonyl]-1,3-thiazolidin-2-one;hydrochloride (CID 120735018) is (4R)-4-[2-(2-methoxyphenyl)piperazine-1-carbonyl]-1,3-thiazolidin-2-one;hydrochloride.
What is the SMILES notation for (4R)-4-[2-(2-methoxyphenyl)piperazine-1-carbonyl]-1,3-thiazolidin-2-one;hydrochloride?
The canonical SMILES for (4R)-4-[2-(2-methoxyphenyl)piperazine-1-carbonyl]-1,3-thiazolidin-2-one;hydrochloride is COc1ccccc1C1CNCCN1C(=O)[C@@H]1CSC(=O)N1.Cl.
What is the InChIKey of (4R)-4-[2-(2-methoxyphenyl)piperazine-1-carbonyl]-1,3-thiazolidin-2-one;hydrochloride?
The InChIKey is FZNFPIPSVMDUHI-YLIVSKOQSA-N. The full InChI is InChI=1S/C15H19N3O3S.ClH/c1-21-13-5-3-2-4-10(13)12-8-16-6-7-18(12)14(19)11-9-22-15(20)17-11;/h2-5,11-12,16H,6-9H2,1H3,(H,17,20);1H/t11-,12?;/m0./s1.
What are the key properties of (4R)-4-[2-(2-methoxyphenyl)piperazine-1-carbonyl]-1,3-thiazolidin-2-one;hydrochloride?
(4R)-4-[2-(2-methoxyphenyl)piperazine-1-carbonyl]-1,3-thiazolidin-2-one;hydrochloride has a molecular weight of 357.86 g/mol, XLogP of 1.41, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[2-(2-methoxyphenyl)piperazine-1-carbonyl]-1,3-thiazolidin-2-one;hydrochloride is sourced from PubChem (CID 120735018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).