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

C21H19N3O2S — CID 7403799

IUPAC(2Z,5R)-5-ethyl-2-[(Z)-furan-2-ylmethylidenehydrazinylidene]-3-(naphthalen-1-ylmethyl)-1,3-thiazolidin-4-one
SMILESCC[C@H]1S/C(=N\N=C/c2ccco2)N(Cc2cccc3ccccc23)C1=O
InChIInChI=1S/C21H19N3O2S/c1-2-19-20(25)24(21(27-19)23-22-13-17-10-6-12-26-17)14-16-9-5-8-15-7-3-4-11-18(15)16/h3-13,19H,2,14H2,1H3/b22-13-,23-21-/t19-/m1/s1
InChIKeyNHTDBNAGOIIKID-OYMSLGPCSA-N
MW377.47 g/mol
LogP4.68
Rot. Bonds5

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

(2Z,5R)-5-ethyl-2-[(Z)-furan-2-ylmethylidenehydrazinylidene]-3-(naphthalen-1-ylmethyl)-1,3-thiazolidin-4-one (PubChem CID 7403799) has the molecular formula C21H19N3O2S and a molecular weight of 377.47 g/mol. Its IUPAC name is (2Z,5R)-5-ethyl-2-[(Z)-furan-2-ylmethylidenehydrazinylidene]-3-(naphthalen-1-ylmethyl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2Z,5R)-5-ethyl-2-[(Z)-furan-2-ylmethylidenehydrazinylidene]-3-(naphthalen-1-ylmethyl)-1,3-thiazolidin-4-one
PubChem CID7403799
Molecular FormulaC21H19N3O2S
Molecular Weight377.47 g/mol
Exact Mass377.12
IUPAC Name(2Z,5R)-5-ethyl-2-[(Z)-furan-2-ylmethylidenehydrazinylidene]-3-(naphthalen-1-ylmethyl)-1,3-thiazolidin-4-one
SMILESCC[C@H]1S/C(=N\N=C/c2ccco2)N(Cc2cccc3ccccc23)C1=O
InChIInChI=1S/C21H19N3O2S/c1-2-19-20(25)24(21(27-19)23-22-13-17-10-6-12-26-17)14-16-9-5-8-15-7-3-4-11-18(15)16/h3-13,19H,2,14H2,1H3/b22-13-,23-21-/t19-/m1/s1
InChIKeyNHTDBNAGOIIKID-OYMSLGPCSA-N
XLogP4.68
TPSA58.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.47
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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,5R)-5-ethyl-2-[(Z)-furan-2-ylmethylidenehydrazinylidene]-3-(naphthalen-1-ylmethyl)-1,3-thiazolidin-4-one?
The IUPAC name of (2Z,5R)-5-ethyl-2-[(Z)-furan-2-ylmethylidenehydrazinylidene]-3-(naphthalen-1-ylmethyl)-1,3-thiazolidin-4-one (CID 7403799) is (2Z,5R)-5-ethyl-2-[(Z)-furan-2-ylmethylidenehydrazinylidene]-3-(naphthalen-1-ylmethyl)-1,3-thiazolidin-4-one.
What is the SMILES notation for (2Z,5R)-5-ethyl-2-[(Z)-furan-2-ylmethylidenehydrazinylidene]-3-(naphthalen-1-ylmethyl)-1,3-thiazolidin-4-one?
The canonical SMILES for (2Z,5R)-5-ethyl-2-[(Z)-furan-2-ylmethylidenehydrazinylidene]-3-(naphthalen-1-ylmethyl)-1,3-thiazolidin-4-one is CC[C@H]1S/C(=N\N=C/c2ccco2)N(Cc2cccc3ccccc23)C1=O.
What is the InChIKey of (2Z,5R)-5-ethyl-2-[(Z)-furan-2-ylmethylidenehydrazinylidene]-3-(naphthalen-1-ylmethyl)-1,3-thiazolidin-4-one?
The InChIKey is NHTDBNAGOIIKID-OYMSLGPCSA-N. The full InChI is InChI=1S/C21H19N3O2S/c1-2-19-20(25)24(21(27-19)23-22-13-17-10-6-12-26-17)14-16-9-5-8-15-7-3-4-11-18(15)16/h3-13,19H,2,14H2,1H3/b22-13-,23-21-/t19-/m1/s1.
What are the key properties of (2Z,5R)-5-ethyl-2-[(Z)-furan-2-ylmethylidenehydrazinylidene]-3-(naphthalen-1-ylmethyl)-1,3-thiazolidin-4-one?
(2Z,5R)-5-ethyl-2-[(Z)-furan-2-ylmethylidenehydrazinylidene]-3-(naphthalen-1-ylmethyl)-1,3-thiazolidin-4-one has a molecular weight of 377.47 g/mol, XLogP of 4.68, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,5R)-5-ethyl-2-[(Z)-furan-2-ylmethylidenehydrazinylidene]-3-(naphthalen-1-ylmethyl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 7403799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).