(2Z)-2-[(E)-heptan-3-ylidenehydrazinylidene]-3-(naphthalen-1-ylmethyl)-1,3-thiazolidin-4-one

C21H25N3OS — CID 127037787

IUPAC(2Z)-2-[(E)-heptan-3-ylidenehydrazinylidene]-3-(naphthalen-1-ylmethyl)-1,3-thiazolidin-4-one
SMILESCCCC/C(CC)=N/N=C1\SCC(=O)N1Cc1cccc2ccccc12
InChIInChI=1S/C21H25N3OS/c1-3-5-12-18(4-2)22-23-21-24(20(25)15-26-21)14-17-11-8-10-16-9-6-7-13-19(16)17/h6-11,13H,3-5,12,14-15H2,1-2H3/b22-18+,23-21-
InChIKeyUFKLWFABFUUYPM-AECZSIAKSA-N
MW367.52 g/mol
LogP5.23
Rot. Bonds7

About (2Z)-2-[(E)-heptan-3-ylidenehydrazinylidene]-3-(naphthalen-1-ylmethyl)-1,3-thiazolidin-4-one

(2Z)-2-[(E)-heptan-3-ylidenehydrazinylidene]-3-(naphthalen-1-ylmethyl)-1,3-thiazolidin-4-one (PubChem CID 127037787) has the molecular formula C21H25N3OS and a molecular weight of 367.52 g/mol. Its IUPAC name is (2Z)-2-[(E)-heptan-3-ylidenehydrazinylidene]-3-(naphthalen-1-ylmethyl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2Z)-2-[(E)-heptan-3-ylidenehydrazinylidene]-3-(naphthalen-1-ylmethyl)-1,3-thiazolidin-4-one
PubChem CID127037787
Molecular FormulaC21H25N3OS
Molecular Weight367.52 g/mol
Exact Mass367.17
IUPAC Name(2Z)-2-[(E)-heptan-3-ylidenehydrazinylidene]-3-(naphthalen-1-ylmethyl)-1,3-thiazolidin-4-one
SMILESCCCC/C(CC)=N/N=C1\SCC(=O)N1Cc1cccc2ccccc12
InChIInChI=1S/C21H25N3OS/c1-3-5-12-18(4-2)22-23-21-24(20(25)15-26-21)14-17-11-8-10-16-9-6-7-13-19(16)17/h6-11,13H,3-5,12,14-15H2,1-2H3/b22-18+,23-21-
InChIKeyUFKLWFABFUUYPM-AECZSIAKSA-N
XLogP5.23
TPSA45.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.52
LogP ≤ 55.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (2Z)-2-[(E)-heptan-3-ylidenehydrazinylidene]-3-(naphthalen-1-ylmethyl)-1,3-thiazolidin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-[(E)-heptan-3-ylidenehydrazinylidene]-3-(naphthalen-1-ylmethyl)-1,3-thiazolidin-4-one?
The IUPAC name of (2Z)-2-[(E)-heptan-3-ylidenehydrazinylidene]-3-(naphthalen-1-ylmethyl)-1,3-thiazolidin-4-one (CID 127037787) is (2Z)-2-[(E)-heptan-3-ylidenehydrazinylidene]-3-(naphthalen-1-ylmethyl)-1,3-thiazolidin-4-one.
What is the SMILES notation for (2Z)-2-[(E)-heptan-3-ylidenehydrazinylidene]-3-(naphthalen-1-ylmethyl)-1,3-thiazolidin-4-one?
The canonical SMILES for (2Z)-2-[(E)-heptan-3-ylidenehydrazinylidene]-3-(naphthalen-1-ylmethyl)-1,3-thiazolidin-4-one is CCCC/C(CC)=N/N=C1\SCC(=O)N1Cc1cccc2ccccc12.
What is the InChIKey of (2Z)-2-[(E)-heptan-3-ylidenehydrazinylidene]-3-(naphthalen-1-ylmethyl)-1,3-thiazolidin-4-one?
The InChIKey is UFKLWFABFUUYPM-AECZSIAKSA-N. The full InChI is InChI=1S/C21H25N3OS/c1-3-5-12-18(4-2)22-23-21-24(20(25)15-26-21)14-17-11-8-10-16-9-6-7-13-19(16)17/h6-11,13H,3-5,12,14-15H2,1-2H3/b22-18+,23-21-.
What are the key properties of (2Z)-2-[(E)-heptan-3-ylidenehydrazinylidene]-3-(naphthalen-1-ylmethyl)-1,3-thiazolidin-4-one?
(2Z)-2-[(E)-heptan-3-ylidenehydrazinylidene]-3-(naphthalen-1-ylmethyl)-1,3-thiazolidin-4-one has a molecular weight of 367.52 g/mol, XLogP of 5.23, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-[(E)-heptan-3-ylidenehydrazinylidene]-3-(naphthalen-1-ylmethyl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 127037787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).