(2E)-3-benzyl-2-(cyclooctylidenehydrazinylidene)-1,3-thiazolidin-4-one

C18H23N3OS — CID 118713906

IUPAC(2E)-3-benzyl-2-(cyclooctylidenehydrazinylidene)-1,3-thiazolidin-4-one
SMILESO=C1CS/C(=N/N=C2CCCCCCC2)N1Cc1ccccc1
InChIInChI=1S/C18H23N3OS/c22-17-14-23-18(21(17)13-15-9-5-4-6-10-15)20-19-16-11-7-2-1-3-8-12-16/h4-6,9-10H,1-3,7-8,11-14H2/b20-18+
InChIKeyPIMYGSGDWFSFQS-CZIZESTLSA-N
MW329.47 g/mol
LogP4.22
Rot. Bonds3

About (2E)-3-benzyl-2-(cyclooctylidenehydrazinylidene)-1,3-thiazolidin-4-one

(2E)-3-benzyl-2-(cyclooctylidenehydrazinylidene)-1,3-thiazolidin-4-one (PubChem CID 118713906) has the molecular formula C18H23N3OS and a molecular weight of 329.47 g/mol. Its IUPAC name is (2E)-3-benzyl-2-(cyclooctylidenehydrazinylidene)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2E)-3-benzyl-2-(cyclooctylidenehydrazinylidene)-1,3-thiazolidin-4-one
PubChem CID118713906
Molecular FormulaC18H23N3OS
Molecular Weight329.47 g/mol
Exact Mass329.16
IUPAC Name(2E)-3-benzyl-2-(cyclooctylidenehydrazinylidene)-1,3-thiazolidin-4-one
SMILESO=C1CS/C(=N/N=C2CCCCCCC2)N1Cc1ccccc1
InChIInChI=1S/C18H23N3OS/c22-17-14-23-18(21(17)13-15-9-5-4-6-10-15)20-19-16-11-7-2-1-3-8-12-16/h4-6,9-10H,1-3,7-8,11-14H2/b20-18+
InChIKeyPIMYGSGDWFSFQS-CZIZESTLSA-N
XLogP4.22
TPSA45.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.47
LogP ≤ 54.22
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'}

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Related Compounds

(2Z)-3-[(4-chlorophenyl)methyl]-2-(cyclopentylidenehydrazinylidene)-1,3-thiazolidin-4-one
CID 127049166
(2E)-3-benzyl-2-[(E)-benzylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 6886864
3-benzyl-2-phenylimino-1,3-thiazolidin-4-one;hydrochloride
CID 141064791
(2E)-3-benzyl-2-[(3,5-ditert-butyl-4-oxocyclohexa-2,5-dien-1-ylidene)hydrazinylidene]-1,3-thiazolidin-4-one
CID 10410067
(2E)-3-benzyl-2-[(E)-naphthalen-1-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 6879010
3-benzyl-2-morpholin-4-ylimino-1,3-thiazolidin-4-one
CID 1369861
(2E)-3-benzyl-2-[(Z)-heptan-3-ylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 118714711
3-benzyl-2-imino-1,3-thiazolidin-4-one
CID 1374508
3-[(4-phenoxyphenyl)methyl]-1,3-thiazolidine-2,4-dione
CID 23125222
(2Z)-2-[(E)-1-cyclohexylethylidenehydrazinylidene]-3-[(4-nitrophenyl)methyl]-1,3-thiazolidin-4-one
CID 127039840
3-[(3-benzyl-4-oxo-1,3-thiazolidin-2-ylidene)amino]-2-(ethylamino)benzonitrile
CID 87377774
(2Z)-3-[(4-ethoxyphenyl)methyl]-2-[(E)-(2-hydroxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135699720

Frequently Asked Questions

What is the IUPAC name of (2E)-3-benzyl-2-(cyclooctylidenehydrazinylidene)-1,3-thiazolidin-4-one?
The IUPAC name of (2E)-3-benzyl-2-(cyclooctylidenehydrazinylidene)-1,3-thiazolidin-4-one (CID 118713906) is (2E)-3-benzyl-2-(cyclooctylidenehydrazinylidene)-1,3-thiazolidin-4-one.
What is the SMILES notation for (2E)-3-benzyl-2-(cyclooctylidenehydrazinylidene)-1,3-thiazolidin-4-one?
The canonical SMILES for (2E)-3-benzyl-2-(cyclooctylidenehydrazinylidene)-1,3-thiazolidin-4-one is O=C1CS/C(=N/N=C2CCCCCCC2)N1Cc1ccccc1.
What is the InChIKey of (2E)-3-benzyl-2-(cyclooctylidenehydrazinylidene)-1,3-thiazolidin-4-one?
The InChIKey is PIMYGSGDWFSFQS-CZIZESTLSA-N. The full InChI is InChI=1S/C18H23N3OS/c22-17-14-23-18(21(17)13-15-9-5-4-6-10-15)20-19-16-11-7-2-1-3-8-12-16/h4-6,9-10H,1-3,7-8,11-14H2/b20-18+.
What are the key properties of (2E)-3-benzyl-2-(cyclooctylidenehydrazinylidene)-1,3-thiazolidin-4-one?
(2E)-3-benzyl-2-(cyclooctylidenehydrazinylidene)-1,3-thiazolidin-4-one has a molecular weight of 329.47 g/mol, XLogP of 4.22, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-3-benzyl-2-(cyclooctylidenehydrazinylidene)-1,3-thiazolidin-4-one is sourced from PubChem (CID 118713906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).