(5Z)-5-benzylidene-3-(3-oxo-3-piperidin-1-ylpropyl)-1,3-thiazolidine-2,4-dione

C18H20N2O3S — CID 1365503

IUPAC(5Z)-5-benzylidene-3-(3-oxo-3-piperidin-1-ylpropyl)-1,3-thiazolidine-2,4-dione
SMILESO=C(CCN1C(=O)S/C(=C\c2ccccc2)C1=O)N1CCCCC1
InChIInChI=1S/C18H20N2O3S/c21-16(19-10-5-2-6-11-19)9-12-20-17(22)15(24-18(20)23)13-14-7-3-1-4-8-14/h1,3-4,7-8,13H,2,5-6,9-12H2/b15-13-
InChIKeyNSKHGNRSVFGMEZ-SQFISAMPSA-N
MW344.44 g/mol
LogP3.13
Rot. Bonds4

About (5Z)-5-benzylidene-3-(3-oxo-3-piperidin-1-ylpropyl)-1,3-thiazolidine-2,4-dione

(5Z)-5-benzylidene-3-(3-oxo-3-piperidin-1-ylpropyl)-1,3-thiazolidine-2,4-dione (PubChem CID 1365503) has the molecular formula C18H20N2O3S and a molecular weight of 344.44 g/mol. Its IUPAC name is (5Z)-5-benzylidene-3-(3-oxo-3-piperidin-1-ylpropyl)-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name(5Z)-5-benzylidene-3-(3-oxo-3-piperidin-1-ylpropyl)-1,3-thiazolidine-2,4-dione
PubChem CID1365503
Molecular FormulaC18H20N2O3S
Molecular Weight344.44 g/mol
Exact Mass344.12
IUPAC Name(5Z)-5-benzylidene-3-(3-oxo-3-piperidin-1-ylpropyl)-1,3-thiazolidine-2,4-dione
SMILESO=C(CCN1C(=O)S/C(=C\c2ccccc2)C1=O)N1CCCCC1
InChIInChI=1S/C18H20N2O3S/c21-16(19-10-5-2-6-11-19)9-12-20-17(22)15(24-18(20)23)13-14-7-3-1-4-8-14/h1,3-4,7-8,13H,2,5-6,9-12H2/b15-13-
InChIKeyNSKHGNRSVFGMEZ-SQFISAMPSA-N
XLogP3.13
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.44
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'thioester', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5Z)-5-benzylidene-3-(3-oxo-3-piperidin-1-ylpropyl)-1,3-thiazolidine-2,4-dione?
The IUPAC name of (5Z)-5-benzylidene-3-(3-oxo-3-piperidin-1-ylpropyl)-1,3-thiazolidine-2,4-dione (CID 1365503) is (5Z)-5-benzylidene-3-(3-oxo-3-piperidin-1-ylpropyl)-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for (5Z)-5-benzylidene-3-(3-oxo-3-piperidin-1-ylpropyl)-1,3-thiazolidine-2,4-dione?
The canonical SMILES for (5Z)-5-benzylidene-3-(3-oxo-3-piperidin-1-ylpropyl)-1,3-thiazolidine-2,4-dione is O=C(CCN1C(=O)S/C(=C\c2ccccc2)C1=O)N1CCCCC1.
What is the InChIKey of (5Z)-5-benzylidene-3-(3-oxo-3-piperidin-1-ylpropyl)-1,3-thiazolidine-2,4-dione?
The InChIKey is NSKHGNRSVFGMEZ-SQFISAMPSA-N. The full InChI is InChI=1S/C18H20N2O3S/c21-16(19-10-5-2-6-11-19)9-12-20-17(22)15(24-18(20)23)13-14-7-3-1-4-8-14/h1,3-4,7-8,13H,2,5-6,9-12H2/b15-13-.
What are the key properties of (5Z)-5-benzylidene-3-(3-oxo-3-piperidin-1-ylpropyl)-1,3-thiazolidine-2,4-dione?
(5Z)-5-benzylidene-3-(3-oxo-3-piperidin-1-ylpropyl)-1,3-thiazolidine-2,4-dione has a molecular weight of 344.44 g/mol, XLogP of 3.13, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-benzylidene-3-(3-oxo-3-piperidin-1-ylpropyl)-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 1365503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).