3-[2-oxo-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethyl]-1,3-thiazolidin-2-one

C18H23N3O2S — CID 18104717

IUPAC3-[2-oxo-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethyl]-1,3-thiazolidin-2-one
SMILESO=C(CN1CCSC1=O)N1CCN(C/C=C/c2ccccc2)CC1
InChIInChI=1S/C18H23N3O2S/c22-17(15-21-13-14-24-18(21)23)20-11-9-19(10-12-20)8-4-7-16-5-2-1-3-6-16/h1-7H,8-15H2/b7-4+
InChIKeyROJDZFURUXNVHB-QPJJXVBHSA-N
MW345.47 g/mol
LogP2.01
Rot. Bonds5

About 3-[2-oxo-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethyl]-1,3-thiazolidin-2-one

3-[2-oxo-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethyl]-1,3-thiazolidin-2-one (PubChem CID 18104717) has the molecular formula C18H23N3O2S and a molecular weight of 345.47 g/mol. Its IUPAC name is 3-[2-oxo-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethyl]-1,3-thiazolidin-2-one.

Molecular Properties

Compound Name3-[2-oxo-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethyl]-1,3-thiazolidin-2-one
PubChem CID18104717
Molecular FormulaC18H23N3O2S
Molecular Weight345.47 g/mol
Exact Mass345.15
IUPAC Name3-[2-oxo-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethyl]-1,3-thiazolidin-2-one
SMILESO=C(CN1CCSC1=O)N1CCN(C/C=C/c2ccccc2)CC1
InChIInChI=1S/C18H23N3O2S/c22-17(15-21-13-14-24-18(21)23)20-11-9-19(10-12-20)8-4-7-16-5-2-1-3-6-16/h1-7H,8-15H2/b7-4+
InChIKeyROJDZFURUXNVHB-QPJJXVBHSA-N
XLogP2.01
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.47
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-oxo-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetic acid
CID 12051420
2-methylsulfanyl-1-[4-(3-phenylprop-2-enyl)piperazin-1-yl]ethanone
CID 112790630
2-phenyl-1-[4-(3-phenylprop-2-enyl)piperazin-1-yl]ethanone
CID 2839064
2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetic acid
CID 43397283
1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pentane-1,4-dione
CID 110374219
2-(4-hydroxyphenyl)-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethanone
CID 78804110
3-[3-oxo-3-[4-(3-phenylprop-2-enyl)piperazin-1-yl]propyl]sulfanyl-1-[4-(3-phenylprop-2-enyl)piperazin-1-yl]propan-1-one
CID 4116088
1-(4-acetylpiperazin-1-yl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethane-1,2-dione
CID 108984484
3-hydroxy-1-[4-(3-phenylprop-2-enyl)piperazin-1-yl]butan-1-one
CID 71393433
1-[4-(3-phenylprop-2-enyl)piperazin-1-yl]-2-thiophen-2-ylethanone
CID 23770821
N-(2-chlorophenyl)-2-[4-[2-(2-oxo-1,3-thiazolidin-3-yl)acetyl]piperazin-1-yl]acetamide
CID 27860722
1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-3-pyrrol-1-ylpropan-1-one
CID 110688701

Frequently Asked Questions

What is the IUPAC name of 3-[2-oxo-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethyl]-1,3-thiazolidin-2-one?
The IUPAC name of 3-[2-oxo-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethyl]-1,3-thiazolidin-2-one (CID 18104717) is 3-[2-oxo-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethyl]-1,3-thiazolidin-2-one.
What is the SMILES notation for 3-[2-oxo-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethyl]-1,3-thiazolidin-2-one?
The canonical SMILES for 3-[2-oxo-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethyl]-1,3-thiazolidin-2-one is O=C(CN1CCSC1=O)N1CCN(C/C=C/c2ccccc2)CC1.
What is the InChIKey of 3-[2-oxo-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethyl]-1,3-thiazolidin-2-one?
The InChIKey is ROJDZFURUXNVHB-QPJJXVBHSA-N. The full InChI is InChI=1S/C18H23N3O2S/c22-17(15-21-13-14-24-18(21)23)20-11-9-19(10-12-20)8-4-7-16-5-2-1-3-6-16/h1-7H,8-15H2/b7-4+.
What are the key properties of 3-[2-oxo-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethyl]-1,3-thiazolidin-2-one?
3-[2-oxo-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethyl]-1,3-thiazolidin-2-one has a molecular weight of 345.47 g/mol, XLogP of 2.01, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-oxo-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethyl]-1,3-thiazolidin-2-one is sourced from PubChem (CID 18104717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).