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

C21H25N3OS — CID 127037786

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

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

(2Z)-2-[(E)-heptan-2-ylidenehydrazinylidene]-3-(naphthalen-1-ylmethyl)-1,3-thiazolidin-4-one (PubChem CID 127037786) has the molecular formula C21H25N3OS and a molecular weight of 367.52 g/mol. Its IUPAC name is (2Z)-2-[(E)-heptan-2-ylidenehydrazinylidene]-3-(naphthalen-1-ylmethyl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2Z)-2-[(E)-heptan-2-ylidenehydrazinylidene]-3-(naphthalen-1-ylmethyl)-1,3-thiazolidin-4-one
PubChem CID127037786
Molecular FormulaC21H25N3OS
Molecular Weight367.52 g/mol
Exact Mass367.17
IUPAC Name(2Z)-2-[(E)-heptan-2-ylidenehydrazinylidene]-3-(naphthalen-1-ylmethyl)-1,3-thiazolidin-4-one
SMILESCCCCC/C(C)=N/N=C1\SCC(=O)N1Cc1cccc2ccccc12
InChIInChI=1S/C21H25N3OS/c1-3-4-5-9-16(2)22-23-21-24(20(25)15-26-21)14-18-12-8-11-17-10-6-7-13-19(17)18/h6-8,10-13H,3-5,9,14-15H2,1-2H3/b22-16+,23-21-
InChIKeyWHFKVXKPZSPNKO-CGRMPOQBSA-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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2E)-3-benzyl-2-[(Z)-naphthalen-1-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 5589754
(2E)-3-benzyl-2-(cyclopentylidenehydrazono)thiazolidin-4-one
CID 118713897
(2E)-3-benzyl-2-[(Z)-(2-methylcyclopentylidene)hydrazono]thiazolidin-4-one
CID 118713898
(2E)-3-benzyl-2-[(Z)-(3-methylcyclopentylidene)hydrazono]thiazolidin-4-one
CID 118713899
(2E)-3-benzyl-2-(cyclohexylidenehydrazono)thiazolidin-4-one
CID 118713900
(2E)-3-benzyl-2-[(Z)-(2-methylcyclohexylidene)hydrazono]thiazolidin-4-one
CID 118713901
(2E)-3-benzyl-2-[(Z)-(3-methylcyclohexylidene)hydrazinylidene]-1,3-thiazolidin-4-one
CID 118713902
(2E)-3-benzyl-2-[(4-methylcyclohexylidene)hydrazono]thiazolidin-4-one
CID 118713903
(2E)-3-benzyl-2-[(Z)-(2-tert-butylcyclohexylidene)hydrazinylidene]-1,3-thiazolidin-4-one
CID 118713904
(2E)-3-benzyl-2-(cycloheptylidenehydrazono)thiazolidin-4-one
CID 118713905
(2E)-3-benzyl-2-(cyclooctylidenehydrazono)thiazolidin-4-one
CID 118713906
(2E)-3-benzyl-2-[(Z)-1-cyclohexylethylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 118713907

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-[(E)-heptan-2-ylidenehydrazinylidene]-3-(naphthalen-1-ylmethyl)-1,3-thiazolidin-4-one?
The IUPAC name of (2Z)-2-[(E)-heptan-2-ylidenehydrazinylidene]-3-(naphthalen-1-ylmethyl)-1,3-thiazolidin-4-one (CID 127037786) is (2Z)-2-[(E)-heptan-2-ylidenehydrazinylidene]-3-(naphthalen-1-ylmethyl)-1,3-thiazolidin-4-one.
What is the SMILES notation for (2Z)-2-[(E)-heptan-2-ylidenehydrazinylidene]-3-(naphthalen-1-ylmethyl)-1,3-thiazolidin-4-one?
The canonical SMILES for (2Z)-2-[(E)-heptan-2-ylidenehydrazinylidene]-3-(naphthalen-1-ylmethyl)-1,3-thiazolidin-4-one is CCCCC/C(C)=N/N=C1\SCC(=O)N1Cc1cccc2ccccc12.
What is the InChIKey of (2Z)-2-[(E)-heptan-2-ylidenehydrazinylidene]-3-(naphthalen-1-ylmethyl)-1,3-thiazolidin-4-one?
The InChIKey is WHFKVXKPZSPNKO-CGRMPOQBSA-N. The full InChI is InChI=1S/C21H25N3OS/c1-3-4-5-9-16(2)22-23-21-24(20(25)15-26-21)14-18-12-8-11-17-10-6-7-13-19(17)18/h6-8,10-13H,3-5,9,14-15H2,1-2H3/b22-16+,23-21-.
What are the key properties of (2Z)-2-[(E)-heptan-2-ylidenehydrazinylidene]-3-(naphthalen-1-ylmethyl)-1,3-thiazolidin-4-one?
(2Z)-2-[(E)-heptan-2-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-2-ylidenehydrazinylidene]-3-(naphthalen-1-ylmethyl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 127037786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).