(5Z)-3-(2-oxo-2-piperidin-1-ylethyl)-5-(thiophen-3-ylmethylidene)-1,3-thiazolidine-2,4-dione

C15H16N2O3S2 — CID 6146270

IUPAC(5Z)-3-(2-oxo-2-piperidin-1-ylethyl)-5-(thiophen-3-ylmethylidene)-1,3-thiazolidine-2,4-dione
SMILESO=C(CN1C(=O)S/C(=C\c2ccsc2)C1=O)N1CCCCC1
InChIInChI=1S/C15H16N2O3S2/c18-13(16-5-2-1-3-6-16)9-17-14(19)12(22-15(17)20)8-11-4-7-21-10-11/h4,7-8,10H,1-3,5-6,9H2/b12-8-
InChIKeyOOLAIQZGFCGNLX-WQLSENKSSA-N
MW336.44 g/mol
LogP2.80
Rot. Bonds3

About (5Z)-3-(2-oxo-2-piperidin-1-ylethyl)-5-(thiophen-3-ylmethylidene)-1,3-thiazolidine-2,4-dione

(5Z)-3-(2-oxo-2-piperidin-1-ylethyl)-5-(thiophen-3-ylmethylidene)-1,3-thiazolidine-2,4-dione (PubChem CID 6146270) has the molecular formula C15H16N2O3S2 and a molecular weight of 336.44 g/mol. Its IUPAC name is (5Z)-3-(2-oxo-2-piperidin-1-ylethyl)-5-(thiophen-3-ylmethylidene)-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name(5Z)-3-(2-oxo-2-piperidin-1-ylethyl)-5-(thiophen-3-ylmethylidene)-1,3-thiazolidine-2,4-dione
PubChem CID6146270
Molecular FormulaC15H16N2O3S2
Molecular Weight336.44 g/mol
Exact Mass336.06
IUPAC Name(5Z)-3-(2-oxo-2-piperidin-1-ylethyl)-5-(thiophen-3-ylmethylidene)-1,3-thiazolidine-2,4-dione
SMILESO=C(CN1C(=O)S/C(=C\c2ccsc2)C1=O)N1CCCCC1
InChIInChI=1S/C15H16N2O3S2/c18-13(16-5-2-1-3-6-16)9-17-14(19)12(22-15(17)20)8-11-4-7-21-10-11/h4,7-8,10H,1-3,5-6,9H2/b12-8-
InChIKeyOOLAIQZGFCGNLX-WQLSENKSSA-N
XLogP2.80
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(5E)-3-(2-morpholin-4-yl-2-oxoethyl)-5-(thiophen-3-ylmethylidene)-1,3-thiazolidine-2,4-dione
CID 124664018
(5E)-5-[(3-hydroxyphenyl)methylidene]-3-(2-oxo-2-piperidin-1-ylethyl)-1,3-thiazolidine-2,4-dione
CID 16627060
3-[2-(azepan-1-yl)-2-oxoethyl]-5-[(3-chlorophenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 3629008
3-[2-(azepan-1-yl)-2-oxoethyl]-5-[(5-bromothiophen-2-yl)methylidene]-1,3-thiazolidine-2,4-dione
CID 4215311
5-[(4-methylsulfanylphenyl)methylidene]-3-(2-oxo-2-pyrrolidin-1-ylethyl)-1,3-thiazolidine-2,4-dione
CID 75345968
5-[[4-(4-chlorophenyl)sulfanylphenyl]methylidene]-3-(2-oxo-2-pyrrolidin-1-ylethyl)-1,3-thiazolidine-2,4-dione
CID 3898055
(5Z)-5-[(2-methylphenyl)methylidene]-3-(2-oxo-2-piperidin-1-ylethyl)-1,3-thiazolidine-2,4-dione
CID 19256104
(5Z)-5-[(3,4-dimethoxyphenyl)methylidene]-3-(2-oxo-2-piperidin-1-ylethyl)-1,3-thiazolidine-2,4-dione
CID 1346406
(5E)-3-[2-(azepan-1-yl)-2-oxoethyl]-5-[(5-chloro-2-hydroxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 16627086
2-[4-[[3-[2-(azepan-1-yl)-2-oxoethyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]acetamide
CID 3159285
(5Z)-3-[2-(azepan-1-yl)-2-oxoethyl]-5-[(2,3-dichlorophenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 16633108
3-[2-(azepan-1-yl)-2-oxoethyl]-5-[[4-(2-methylpropoxy)phenyl]methylidene]-1,3-thiazolidine-2,4-dione
CID 5036394

Frequently Asked Questions

What is the IUPAC name of (5Z)-3-(2-oxo-2-piperidin-1-ylethyl)-5-(thiophen-3-ylmethylidene)-1,3-thiazolidine-2,4-dione?
The IUPAC name of (5Z)-3-(2-oxo-2-piperidin-1-ylethyl)-5-(thiophen-3-ylmethylidene)-1,3-thiazolidine-2,4-dione (CID 6146270) is (5Z)-3-(2-oxo-2-piperidin-1-ylethyl)-5-(thiophen-3-ylmethylidene)-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for (5Z)-3-(2-oxo-2-piperidin-1-ylethyl)-5-(thiophen-3-ylmethylidene)-1,3-thiazolidine-2,4-dione?
The canonical SMILES for (5Z)-3-(2-oxo-2-piperidin-1-ylethyl)-5-(thiophen-3-ylmethylidene)-1,3-thiazolidine-2,4-dione is O=C(CN1C(=O)S/C(=C\c2ccsc2)C1=O)N1CCCCC1.
What is the InChIKey of (5Z)-3-(2-oxo-2-piperidin-1-ylethyl)-5-(thiophen-3-ylmethylidene)-1,3-thiazolidine-2,4-dione?
The InChIKey is OOLAIQZGFCGNLX-WQLSENKSSA-N. The full InChI is InChI=1S/C15H16N2O3S2/c18-13(16-5-2-1-3-6-16)9-17-14(19)12(22-15(17)20)8-11-4-7-21-10-11/h4,7-8,10H,1-3,5-6,9H2/b12-8-.
What are the key properties of (5Z)-3-(2-oxo-2-piperidin-1-ylethyl)-5-(thiophen-3-ylmethylidene)-1,3-thiazolidine-2,4-dione?
(5Z)-3-(2-oxo-2-piperidin-1-ylethyl)-5-(thiophen-3-ylmethylidene)-1,3-thiazolidine-2,4-dione has a molecular weight of 336.44 g/mol, XLogP of 2.80, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-3-(2-oxo-2-piperidin-1-ylethyl)-5-(thiophen-3-ylmethylidene)-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 6146270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).