(2Z)-2-[(E)-(2-chlorophenyl)methylidenehydrazinylidene]-5-[(4-ethoxyphenyl)methyl]-1,3-thiazolidin-4-one

C19H18ClN3O2S — CID 135473274

IUPAC(2Z)-2-[(E)-(2-chlorophenyl)methylidenehydrazinylidene]-5-[(4-ethoxyphenyl)methyl]-1,3-thiazolidin-4-one
SMILESCCOc1ccc(CC2S/C(=N\N=C\c3ccccc3Cl)NC2=O)cc1
InChIInChI=1S/C19H18ClN3O2S/c1-2-25-15-9-7-13(8-10-15)11-17-18(24)22-19(26-17)23-21-12-14-5-3-4-6-16(14)20/h3-10,12,17H,2,11H2,1H3,(H,22,23,24)/b21-12+
InChIKeyQKOBZCUICWCPNW-CIAFOILYSA-N
MW387.89 g/mol
LogP3.90
Rot. Bonds6

About (2Z)-2-[(E)-(2-chlorophenyl)methylidenehydrazinylidene]-5-[(4-ethoxyphenyl)methyl]-1,3-thiazolidin-4-one

(2Z)-2-[(E)-(2-chlorophenyl)methylidenehydrazinylidene]-5-[(4-ethoxyphenyl)methyl]-1,3-thiazolidin-4-one (PubChem CID 135473274) has the molecular formula C19H18ClN3O2S and a molecular weight of 387.89 g/mol. Its IUPAC name is (2Z)-2-[(E)-(2-chlorophenyl)methylidenehydrazinylidene]-5-[(4-ethoxyphenyl)methyl]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2Z)-2-[(E)-(2-chlorophenyl)methylidenehydrazinylidene]-5-[(4-ethoxyphenyl)methyl]-1,3-thiazolidin-4-one
PubChem CID135473274
Molecular FormulaC19H18ClN3O2S
Molecular Weight387.89 g/mol
Exact Mass387.08
IUPAC Name(2Z)-2-[(E)-(2-chlorophenyl)methylidenehydrazinylidene]-5-[(4-ethoxyphenyl)methyl]-1,3-thiazolidin-4-one
SMILESCCOc1ccc(CC2S/C(=N\N=C\c3ccccc3Cl)NC2=O)cc1
InChIInChI=1S/C19H18ClN3O2S/c1-2-25-15-9-7-13(8-10-15)11-17-18(24)22-19(26-17)23-21-12-14-5-3-4-6-16(14)20/h3-10,12,17H,2,11H2,1H3,(H,22,23,24)/b21-12+
InChIKeyQKOBZCUICWCPNW-CIAFOILYSA-N
XLogP3.90
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.89
LogP ≤ 53.90
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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Frequently Asked Questions

What is the IUPAC name of (2Z)-2-[(E)-(2-chlorophenyl)methylidenehydrazinylidene]-5-[(4-ethoxyphenyl)methyl]-1,3-thiazolidin-4-one?
The IUPAC name of (2Z)-2-[(E)-(2-chlorophenyl)methylidenehydrazinylidene]-5-[(4-ethoxyphenyl)methyl]-1,3-thiazolidin-4-one (CID 135473274) is (2Z)-2-[(E)-(2-chlorophenyl)methylidenehydrazinylidene]-5-[(4-ethoxyphenyl)methyl]-1,3-thiazolidin-4-one.
What is the SMILES notation for (2Z)-2-[(E)-(2-chlorophenyl)methylidenehydrazinylidene]-5-[(4-ethoxyphenyl)methyl]-1,3-thiazolidin-4-one?
The canonical SMILES for (2Z)-2-[(E)-(2-chlorophenyl)methylidenehydrazinylidene]-5-[(4-ethoxyphenyl)methyl]-1,3-thiazolidin-4-one is CCOc1ccc(CC2S/C(=N\N=C\c3ccccc3Cl)NC2=O)cc1.
What is the InChIKey of (2Z)-2-[(E)-(2-chlorophenyl)methylidenehydrazinylidene]-5-[(4-ethoxyphenyl)methyl]-1,3-thiazolidin-4-one?
The InChIKey is QKOBZCUICWCPNW-CIAFOILYSA-N. The full InChI is InChI=1S/C19H18ClN3O2S/c1-2-25-15-9-7-13(8-10-15)11-17-18(24)22-19(26-17)23-21-12-14-5-3-4-6-16(14)20/h3-10,12,17H,2,11H2,1H3,(H,22,23,24)/b21-12+.
What are the key properties of (2Z)-2-[(E)-(2-chlorophenyl)methylidenehydrazinylidene]-5-[(4-ethoxyphenyl)methyl]-1,3-thiazolidin-4-one?
(2Z)-2-[(E)-(2-chlorophenyl)methylidenehydrazinylidene]-5-[(4-ethoxyphenyl)methyl]-1,3-thiazolidin-4-one has a molecular weight of 387.89 g/mol, XLogP of 3.90, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-[(E)-(2-chlorophenyl)methylidenehydrazinylidene]-5-[(4-ethoxyphenyl)methyl]-1,3-thiazolidin-4-one is sourced from PubChem (CID 135473274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).