(2Z)-5-ethyl-3-(furan-2-ylmethyl)-2-[(Z)-pyridin-3-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one

C16H16N4O2S — CID 127031376

IUPAC(2Z)-5-ethyl-3-(furan-2-ylmethyl)-2-[(Z)-pyridin-3-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one
SMILESCCC1S/C(=N\N=C/c2cccnc2)N(Cc2ccco2)C1=O
InChIInChI=1S/C16H16N4O2S/c1-2-14-15(21)20(11-13-6-4-8-22-13)16(23-14)19-18-10-12-5-3-7-17-9-12/h3-10,14H,2,11H2,1H3/b18-10-,19-16-
InChIKeySZABSWAUYGYTJY-WHMWJKGLSA-N
MW328.40 g/mol
LogP2.92
Rot. Bonds5

About (2Z)-5-ethyl-3-(furan-2-ylmethyl)-2-[(Z)-pyridin-3-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one

(2Z)-5-ethyl-3-(furan-2-ylmethyl)-2-[(Z)-pyridin-3-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one (PubChem CID 127031376) has the molecular formula C16H16N4O2S and a molecular weight of 328.40 g/mol. Its IUPAC name is (2Z)-5-ethyl-3-(furan-2-ylmethyl)-2-[(Z)-pyridin-3-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2Z)-5-ethyl-3-(furan-2-ylmethyl)-2-[(Z)-pyridin-3-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one
PubChem CID127031376
Molecular FormulaC16H16N4O2S
Molecular Weight328.40 g/mol
Exact Mass328.10
IUPAC Name(2Z)-5-ethyl-3-(furan-2-ylmethyl)-2-[(Z)-pyridin-3-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one
SMILESCCC1S/C(=N\N=C/c2cccnc2)N(Cc2ccco2)C1=O
InChIInChI=1S/C16H16N4O2S/c1-2-14-15(21)20(11-13-6-4-8-22-13)16(23-14)19-18-10-12-5-3-7-17-9-12/h3-10,14H,2,11H2,1H3/b18-10-,19-16-
InChIKeySZABSWAUYGYTJY-WHMWJKGLSA-N
XLogP2.92
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.40
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2Z)-5-ethyl-3-(furan-2-ylmethyl)-2-[(Z)-pyridin-3-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The IUPAC name of (2Z)-5-ethyl-3-(furan-2-ylmethyl)-2-[(Z)-pyridin-3-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one (CID 127031376) is (2Z)-5-ethyl-3-(furan-2-ylmethyl)-2-[(Z)-pyridin-3-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one.
What is the SMILES notation for (2Z)-5-ethyl-3-(furan-2-ylmethyl)-2-[(Z)-pyridin-3-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The canonical SMILES for (2Z)-5-ethyl-3-(furan-2-ylmethyl)-2-[(Z)-pyridin-3-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one is CCC1S/C(=N\N=C/c2cccnc2)N(Cc2ccco2)C1=O.
What is the InChIKey of (2Z)-5-ethyl-3-(furan-2-ylmethyl)-2-[(Z)-pyridin-3-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The InChIKey is SZABSWAUYGYTJY-WHMWJKGLSA-N. The full InChI is InChI=1S/C16H16N4O2S/c1-2-14-15(21)20(11-13-6-4-8-22-13)16(23-14)19-18-10-12-5-3-7-17-9-12/h3-10,14H,2,11H2,1H3/b18-10-,19-16-.
What are the key properties of (2Z)-5-ethyl-3-(furan-2-ylmethyl)-2-[(Z)-pyridin-3-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one?
(2Z)-5-ethyl-3-(furan-2-ylmethyl)-2-[(Z)-pyridin-3-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one has a molecular weight of 328.40 g/mol, XLogP of 2.92, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-5-ethyl-3-(furan-2-ylmethyl)-2-[(Z)-pyridin-3-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 127031376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).