(2E)-2-[(Z)-[2-[(4-chlorophenyl)methoxy]naphthalen-1-yl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one

C21H16ClN3O2S — CID 135830619

IUPAC(2E)-2-[(Z)-[2-[(4-chlorophenyl)methoxy]naphthalen-1-yl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one
SMILESO=C1CS/C(=N/N=C\c2c(OCc3ccc(Cl)cc3)ccc3ccccc23)N1
InChIInChI=1S/C21H16ClN3O2S/c22-16-8-5-14(6-9-16)12-27-19-10-7-15-3-1-2-4-17(15)18(19)11-23-25-21-24-20(26)13-28-21/h1-11H,12-13H2,(H,24,25,26)/b23-11-
InChIKeyDGDAWUJVVUNEIL-KSEXSDGBSA-N
MW409.90 g/mol
LogP4.63
Rot. Bonds5

About (2E)-2-[(Z)-[2-[(4-chlorophenyl)methoxy]naphthalen-1-yl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one

(2E)-2-[(Z)-[2-[(4-chlorophenyl)methoxy]naphthalen-1-yl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one (PubChem CID 135830619) has the molecular formula C21H16ClN3O2S and a molecular weight of 409.90 g/mol. Its IUPAC name is (2E)-2-[(Z)-[2-[(4-chlorophenyl)methoxy]naphthalen-1-yl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2E)-2-[(Z)-[2-[(4-chlorophenyl)methoxy]naphthalen-1-yl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one
PubChem CID135830619
Molecular FormulaC21H16ClN3O2S
Molecular Weight409.90 g/mol
Exact Mass409.07
IUPAC Name(2E)-2-[(Z)-[2-[(4-chlorophenyl)methoxy]naphthalen-1-yl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one
SMILESO=C1CS/C(=N/N=C\c2c(OCc3ccc(Cl)cc3)ccc3ccccc23)N1
InChIInChI=1S/C21H16ClN3O2S/c22-16-8-5-14(6-9-16)12-27-19-10-7-15-3-1-2-4-17(15)18(19)11-23-25-21-24-20(26)13-28-21/h1-11H,12-13H2,(H,24,25,26)/b23-11-
InChIKeyDGDAWUJVVUNEIL-KSEXSDGBSA-N
XLogP4.63
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.90
LogP ≤ 54.63
H-Bond Donors ≤ 51
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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Related Compounds

(2Z)-2-[(E)-[2-[(4-chlorophenyl)methoxy]phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135528391
2-[(E)-[2-[(4-chlorophenyl)methoxy]phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135641769
(2E)-2-[(E)-[4-[(4-chlorophenyl)methoxy]phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135641776
(2Z)-2-[[4-[(4-chlorophenyl)methoxy]phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135926222
(5E)-5-[[2-[(4-chlorophenyl)methoxy]naphthalen-1-yl]methylidene]-2-(4-fluorophenyl)imino-1,3-thiazolidin-4-one
CID 137080469
(2Z)-2-[(E)-[2-(4-chlorophenyl)-1H-indol-3-yl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135778125
(2Z)-2-[(E)-[1-[(4-chlorophenyl)methyl]indol-3-yl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135569133
4-chloro-N-[(Z)-[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methylideneamino]benzamide
CID 6058956
2-[[2-[(3-bromophenyl)methoxy]-5-chlorophenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 168575879
2-[(E)-(3-methoxy-4-phenylmethoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 137239581
2-[[2-[(3,4-difluorophenyl)methoxy]-4-fluorophenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 168574079
N-[(Z)-[2-[(4-chlorophenyl)methoxy]naphthalen-1-yl]methylideneamino]-2-(2-methyl-1,3-dithiolan-2-yl)acetamide
CID 6151114

Frequently Asked Questions

What is the IUPAC name of (2E)-2-[(Z)-[2-[(4-chlorophenyl)methoxy]naphthalen-1-yl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The IUPAC name of (2E)-2-[(Z)-[2-[(4-chlorophenyl)methoxy]naphthalen-1-yl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one (CID 135830619) is (2E)-2-[(Z)-[2-[(4-chlorophenyl)methoxy]naphthalen-1-yl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one.
What is the SMILES notation for (2E)-2-[(Z)-[2-[(4-chlorophenyl)methoxy]naphthalen-1-yl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The canonical SMILES for (2E)-2-[(Z)-[2-[(4-chlorophenyl)methoxy]naphthalen-1-yl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one is O=C1CS/C(=N/N=C\c2c(OCc3ccc(Cl)cc3)ccc3ccccc23)N1.
What is the InChIKey of (2E)-2-[(Z)-[2-[(4-chlorophenyl)methoxy]naphthalen-1-yl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The InChIKey is DGDAWUJVVUNEIL-KSEXSDGBSA-N. The full InChI is InChI=1S/C21H16ClN3O2S/c22-16-8-5-14(6-9-16)12-27-19-10-7-15-3-1-2-4-17(15)18(19)11-23-25-21-24-20(26)13-28-21/h1-11H,12-13H2,(H,24,25,26)/b23-11-.
What are the key properties of (2E)-2-[(Z)-[2-[(4-chlorophenyl)methoxy]naphthalen-1-yl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
(2E)-2-[(Z)-[2-[(4-chlorophenyl)methoxy]naphthalen-1-yl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one has a molecular weight of 409.90 g/mol, XLogP of 4.63, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-[(Z)-[2-[(4-chlorophenyl)methoxy]naphthalen-1-yl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 135830619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).