(2Z)-3-(furan-2-ylmethyl)-5-[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-2-[(Z)-(4-oxo-1,3-thiazolidin-2-ylidene)hydrazinylidene]-1,3-thiazolidin-4-one

C23H22N4O4S2 — CID 135728961

IUPAC(2Z)-3-(furan-2-ylmethyl)-5-[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-2-[(Z)-(4-oxo-1,3-thiazolidin-2-ylidene)hydrazinylidene]-1,3-thiazolidin-4-one
SMILESO=C1CS/C(=N\N=C2/SC(CC(=O)c3ccc4c(c3)CCCC4)C(=O)N2Cc2ccco2)N1
InChIInChI=1S/C23H22N4O4S2/c28-18(16-8-7-14-4-1-2-5-15(14)10-16)11-19-21(30)27(12-17-6-3-9-31-17)23(33-19)26-25-22-24-20(29)13-32-22/h3,6-10,19H,1-2,4-5,11-13H2,(H,24,25,29)/b26-23-
InChIKeyJTPSSJDOXUQZLL-RWEWTDSWSA-N
MW482.59 g/mol
LogP3.37
Rot. Bonds6

About (2Z)-3-(furan-2-ylmethyl)-5-[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-2-[(Z)-(4-oxo-1,3-thiazolidin-2-ylidene)hydrazinylidene]-1,3-thiazolidin-4-one

(2Z)-3-(furan-2-ylmethyl)-5-[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-2-[(Z)-(4-oxo-1,3-thiazolidin-2-ylidene)hydrazinylidene]-1,3-thiazolidin-4-one (PubChem CID 135728961) has the molecular formula C23H22N4O4S2 and a molecular weight of 482.59 g/mol. Its IUPAC name is (2Z)-3-(furan-2-ylmethyl)-5-[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-2-[(Z)-(4-oxo-1,3-thiazolidin-2-ylidene)hydrazinylidene]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2Z)-3-(furan-2-ylmethyl)-5-[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-2-[(Z)-(4-oxo-1,3-thiazolidin-2-ylidene)hydrazinylidene]-1,3-thiazolidin-4-one
PubChem CID135728961
Molecular FormulaC23H22N4O4S2
Molecular Weight482.59 g/mol
Exact Mass482.11
IUPAC Name(2Z)-3-(furan-2-ylmethyl)-5-[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-2-[(Z)-(4-oxo-1,3-thiazolidin-2-ylidene)hydrazinylidene]-1,3-thiazolidin-4-one
SMILESO=C1CS/C(=N\N=C2/SC(CC(=O)c3ccc4c(c3)CCCC4)C(=O)N2Cc2ccco2)N1
InChIInChI=1S/C23H22N4O4S2/c28-18(16-8-7-14-4-1-2-5-15(14)10-16)11-19-21(30)27(12-17-6-3-9-31-17)23(33-19)26-25-22-24-20(29)13-32-22/h3,6-10,19H,1-2,4-5,11-13H2,(H,24,25,29)/b26-23-
InChIKeyJTPSSJDOXUQZLL-RWEWTDSWSA-N
XLogP3.37
TPSA104.34 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.59
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (2Z)-3-(furan-2-ylmethyl)-5-[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-2-[(Z)-(4-oxo-1,3-thiazolidin-2-ylidene)hydrazinylidene]-1,3-thiazolidin-4-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2Z)-3-(furan-2-ylmethyl)-5-[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-2-[(Z)-(4-oxo-1,3-thiazolidin-2-ylidene)hydrazinylidene]-1,3-thiazolidin-4-one?
The IUPAC name of (2Z)-3-(furan-2-ylmethyl)-5-[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-2-[(Z)-(4-oxo-1,3-thiazolidin-2-ylidene)hydrazinylidene]-1,3-thiazolidin-4-one (CID 135728961) is (2Z)-3-(furan-2-ylmethyl)-5-[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-2-[(Z)-(4-oxo-1,3-thiazolidin-2-ylidene)hydrazinylidene]-1,3-thiazolidin-4-one.
What is the SMILES notation for (2Z)-3-(furan-2-ylmethyl)-5-[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-2-[(Z)-(4-oxo-1,3-thiazolidin-2-ylidene)hydrazinylidene]-1,3-thiazolidin-4-one?
The canonical SMILES for (2Z)-3-(furan-2-ylmethyl)-5-[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-2-[(Z)-(4-oxo-1,3-thiazolidin-2-ylidene)hydrazinylidene]-1,3-thiazolidin-4-one is O=C1CS/C(=N\N=C2/SC(CC(=O)c3ccc4c(c3)CCCC4)C(=O)N2Cc2ccco2)N1.
What is the InChIKey of (2Z)-3-(furan-2-ylmethyl)-5-[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-2-[(Z)-(4-oxo-1,3-thiazolidin-2-ylidene)hydrazinylidene]-1,3-thiazolidin-4-one?
The InChIKey is JTPSSJDOXUQZLL-RWEWTDSWSA-N. The full InChI is InChI=1S/C23H22N4O4S2/c28-18(16-8-7-14-4-1-2-5-15(14)10-16)11-19-21(30)27(12-17-6-3-9-31-17)23(33-19)26-25-22-24-20(29)13-32-22/h3,6-10,19H,1-2,4-5,11-13H2,(H,24,25,29)/b26-23-.
What are the key properties of (2Z)-3-(furan-2-ylmethyl)-5-[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-2-[(Z)-(4-oxo-1,3-thiazolidin-2-ylidene)hydrazinylidene]-1,3-thiazolidin-4-one?
(2Z)-3-(furan-2-ylmethyl)-5-[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-2-[(Z)-(4-oxo-1,3-thiazolidin-2-ylidene)hydrazinylidene]-1,3-thiazolidin-4-one has a molecular weight of 482.59 g/mol, XLogP of 3.37, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-3-(furan-2-ylmethyl)-5-[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-2-[(Z)-(4-oxo-1,3-thiazolidin-2-ylidene)hydrazinylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 135728961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).