(2Z)-2-[(E)-[3-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one

C19H18FN3O3S — CID 135404066

IUPAC(2Z)-2-[(E)-[3-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one
SMILESCCOc1cc(/C=N/N=C2/NC(=O)CS2)ccc1OCc1ccc(F)cc1
InChIInChI=1S/C19H18FN3O3S/c1-2-25-17-9-14(10-21-23-19-22-18(24)12-27-19)5-8-16(17)26-11-13-3-6-15(20)7-4-13/h3-10H,2,11-12H2,1H3,(H,22,23,24)/b21-10+
InChIKeyCKMIJCIOMXXYQA-UFFVCSGVSA-N
MW387.44 g/mol
LogP3.36
Rot. Bonds7

About (2Z)-2-[(E)-[3-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one

(2Z)-2-[(E)-[3-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one (PubChem CID 135404066) has the molecular formula C19H18FN3O3S and a molecular weight of 387.44 g/mol. Its IUPAC name is (2Z)-2-[(E)-[3-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2Z)-2-[(E)-[3-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one
PubChem CID135404066
Molecular FormulaC19H18FN3O3S
Molecular Weight387.44 g/mol
Exact Mass387.11
IUPAC Name(2Z)-2-[(E)-[3-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one
SMILESCCOc1cc(/C=N/N=C2/NC(=O)CS2)ccc1OCc1ccc(F)cc1
InChIInChI=1S/C19H18FN3O3S/c1-2-25-17-9-14(10-21-23-19-22-18(24)12-27-19)5-8-16(17)26-11-13-3-6-15(20)7-4-13/h3-10H,2,11-12H2,1H3,(H,22,23,24)/b21-10+
InChIKeyCKMIJCIOMXXYQA-UFFVCSGVSA-N
XLogP3.36
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

2-[(3,4-Dimethoxybenzylidene)hydrazono] thiazolidin-4-one
CID 135454338
(2Z)-5-(4-fluorobenzyl)-2-[(2E)-(4-hydroxy-3-methoxybenzylidene)hydrazinylidene]-2,5-dihydro-1,3-thiazol-4-ol
CID 135460476
(Z)-2-((Z)-(4-Ethoxy-3-methoxybenzoylidine)hydrazono)thiazolidine-4-one (17)
CID 136161879
(2E)-2-{(2E)-[4-(benzyloxy)-3-methoxybenzylidene]hydrazinylidene}-1,3-thiazolidin-4-one
CID 135628897
3-methoxybenzaldehyde [(2E)-4-oxo-1,3-thiazolidin-2-ylidene]hydrazone
CID 135981156
(5Z)-5-[[3-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methylidene]-2-imino-1,3-thiazolidin-4-one
CID 137832460
(5E)-5-[[4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methylidene]-2-imino-1,3-thiazolidin-4-one
CID 156601275
N-[(2E,5E)-5-{3-ethoxy-4-[(4-fluorobenzyl)oxy]benzylidene}-4-oxo-1,3-thiazolidin-2-ylidene]acetamide
CID 1252851
2-[(3,4,5-Trimethoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135443957
Benzaldehyde, 4-ethoxy-3-methoxy-, (3-(2-(3,4-dimethoxyphenyl)ethyl)-4-oxo-thiazolidinylidene)hydrazone
CID 9554245
Benzaldehyde, (3-(2-(3,4-dimethoxyphenyl)ethyl)-4-oxo-2-thiazolidinylidene)hydrazone
CID 9570611
(Z)-2-((Z)-(4-(Dimethyl amino)benzylodine)hydrazono)thiazolidine-4-one (12)
CID 135572138

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-[(E)-[3-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The IUPAC name of (2Z)-2-[(E)-[3-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one (CID 135404066) is (2Z)-2-[(E)-[3-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one.
What is the SMILES notation for (2Z)-2-[(E)-[3-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The canonical SMILES for (2Z)-2-[(E)-[3-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one is CCOc1cc(/C=N/N=C2/NC(=O)CS2)ccc1OCc1ccc(F)cc1.
What is the InChIKey of (2Z)-2-[(E)-[3-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The InChIKey is CKMIJCIOMXXYQA-UFFVCSGVSA-N. The full InChI is InChI=1S/C19H18FN3O3S/c1-2-25-17-9-14(10-21-23-19-22-18(24)12-27-19)5-8-16(17)26-11-13-3-6-15(20)7-4-13/h3-10H,2,11-12H2,1H3,(H,22,23,24)/b21-10+.
What are the key properties of (2Z)-2-[(E)-[3-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
(2Z)-2-[(E)-[3-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one has a molecular weight of 387.44 g/mol, XLogP of 3.36, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-[(E)-[3-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 135404066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).