(2Z,5S)-2-[(Z)-[5-(2-chlorophenyl)furan-2-yl]methylidenehydrazinylidene]-5-[(4-fluorophenyl)methyl]-1,3-thiazolidin-4-one

C21H15ClFN3O2S — CID 135878944

IUPAC(2Z,5S)-2-[(Z)-[5-(2-chlorophenyl)furan-2-yl]methylidenehydrazinylidene]-5-[(4-fluorophenyl)methyl]-1,3-thiazolidin-4-one
SMILESO=C1N/C(=N/N=C\c2ccc(-c3ccccc3Cl)o2)S[C@H]1Cc1ccc(F)cc1
InChIInChI=1S/C21H15ClFN3O2S/c22-17-4-2-1-3-16(17)18-10-9-15(28-18)12-24-26-21-25-20(27)19(29-21)11-13-5-7-14(23)8-6-13/h1-10,12,19H,11H2,(H,25,26,27)/b24-12-/t19-/m0/s1
InChIKeyFGQHVSFPXJJRPM-BTMMFNIDSA-N
MW427.89 g/mol
LogP4.90
Rot. Bonds5

About (2Z,5S)-2-[(Z)-[5-(2-chlorophenyl)furan-2-yl]methylidenehydrazinylidene]-5-[(4-fluorophenyl)methyl]-1,3-thiazolidin-4-one

(2Z,5S)-2-[(Z)-[5-(2-chlorophenyl)furan-2-yl]methylidenehydrazinylidene]-5-[(4-fluorophenyl)methyl]-1,3-thiazolidin-4-one (PubChem CID 135878944) has the molecular formula C21H15ClFN3O2S and a molecular weight of 427.89 g/mol. Its IUPAC name is (2Z,5S)-2-[(Z)-[5-(2-chlorophenyl)furan-2-yl]methylidenehydrazinylidene]-5-[(4-fluorophenyl)methyl]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2Z,5S)-2-[(Z)-[5-(2-chlorophenyl)furan-2-yl]methylidenehydrazinylidene]-5-[(4-fluorophenyl)methyl]-1,3-thiazolidin-4-one
PubChem CID135878944
Molecular FormulaC21H15ClFN3O2S
Molecular Weight427.89 g/mol
Exact Mass427.06
IUPAC Name(2Z,5S)-2-[(Z)-[5-(2-chlorophenyl)furan-2-yl]methylidenehydrazinylidene]-5-[(4-fluorophenyl)methyl]-1,3-thiazolidin-4-one
SMILESO=C1N/C(=N/N=C\c2ccc(-c3ccccc3Cl)o2)S[C@H]1Cc1ccc(F)cc1
InChIInChI=1S/C21H15ClFN3O2S/c22-17-4-2-1-3-16(17)18-10-9-15(28-18)12-24-26-21-25-20(27)19(29-21)11-13-5-7-14(23)8-6-13/h1-10,12,19H,11H2,(H,25,26,27)/b24-12-/t19-/m0/s1
InChIKeyFGQHVSFPXJJRPM-BTMMFNIDSA-N
XLogP4.90
TPSA66.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.89
LogP ≤ 54.90
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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Related Compounds

5-benzyl-2-[[5-(2-fluorophenyl)furan-2-yl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135500177
(2E)-2-[(E)-[5-(2-chlorophenyl)furan-2-yl]methylidenehydrazinylidene]-5-[(2,5-dichlorophenyl)methyl]-1,3-thiazolidin-4-one
CID 135711989
(2E,5S)-5-[(3-chlorophenyl)methyl]-2-[(Z)-[5-(2,5-dichlorophenyl)furan-2-yl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 136755697
(2E)-5-[(4-chlorophenyl)methyl]-2-[(E)-[5-[2-chloro-5-(trifluoromethyl)phenyl]furan-2-yl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135712029
(2E)-2-[(E)-(2-chlorophenyl)methylidenehydrazinylidene]-5-[(4-fluorophenyl)methyl]-1,3-thiazolidin-4-one
CID 135599453
(2E)-2-[(E)-[5-[2-chloro-5-(trifluoromethyl)phenyl]furan-2-yl]methylidenehydrazinylidene]-5-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]-1,3-thiazolidin-4-one
CID 135712261
(2E)-2-[(E)-[5-[2-chloro-5-(trifluoromethyl)phenyl]furan-2-yl]methylidenehydrazinylidene]-5-[(4-ethoxyphenyl)methyl]-1,3-thiazolidin-4-one
CID 135712201
(2E)-5-benzyl-2-[(Z)-[5-(4-methylphenyl)furan-2-yl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135736260
(2Z,5R)-2-[(Z)-[5-(3-chlorophenyl)furan-2-yl]methylidenehydrazinylidene]-5-[(3-chlorophenyl)methyl]-1,3-thiazolidin-4-one
CID 135920456
(2E)-5-[(4-methoxyphenyl)methyl]-2-[(E)-(5-phenylfuran-2-yl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135712180
(2E)-2-[[5-(4-chlorophenyl)furan-2-yl]methylidenehydrazinylidene]-5-[(4-methoxyphenyl)methyl]-1,3-thiazolidin-4-one
CID 135815356
(2Z)-5-[(4-chlorophenyl)methyl]-2-[(E)-(2-chlorophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135473256

Frequently Asked Questions

What is the IUPAC name of (2Z,5S)-2-[(Z)-[5-(2-chlorophenyl)furan-2-yl]methylidenehydrazinylidene]-5-[(4-fluorophenyl)methyl]-1,3-thiazolidin-4-one?
The IUPAC name of (2Z,5S)-2-[(Z)-[5-(2-chlorophenyl)furan-2-yl]methylidenehydrazinylidene]-5-[(4-fluorophenyl)methyl]-1,3-thiazolidin-4-one (CID 135878944) is (2Z,5S)-2-[(Z)-[5-(2-chlorophenyl)furan-2-yl]methylidenehydrazinylidene]-5-[(4-fluorophenyl)methyl]-1,3-thiazolidin-4-one.
What is the SMILES notation for (2Z,5S)-2-[(Z)-[5-(2-chlorophenyl)furan-2-yl]methylidenehydrazinylidene]-5-[(4-fluorophenyl)methyl]-1,3-thiazolidin-4-one?
The canonical SMILES for (2Z,5S)-2-[(Z)-[5-(2-chlorophenyl)furan-2-yl]methylidenehydrazinylidene]-5-[(4-fluorophenyl)methyl]-1,3-thiazolidin-4-one is O=C1N/C(=N/N=C\c2ccc(-c3ccccc3Cl)o2)S[C@H]1Cc1ccc(F)cc1.
What is the InChIKey of (2Z,5S)-2-[(Z)-[5-(2-chlorophenyl)furan-2-yl]methylidenehydrazinylidene]-5-[(4-fluorophenyl)methyl]-1,3-thiazolidin-4-one?
The InChIKey is FGQHVSFPXJJRPM-BTMMFNIDSA-N. The full InChI is InChI=1S/C21H15ClFN3O2S/c22-17-4-2-1-3-16(17)18-10-9-15(28-18)12-24-26-21-25-20(27)19(29-21)11-13-5-7-14(23)8-6-13/h1-10,12,19H,11H2,(H,25,26,27)/b24-12-/t19-/m0/s1.
What are the key properties of (2Z,5S)-2-[(Z)-[5-(2-chlorophenyl)furan-2-yl]methylidenehydrazinylidene]-5-[(4-fluorophenyl)methyl]-1,3-thiazolidin-4-one?
(2Z,5S)-2-[(Z)-[5-(2-chlorophenyl)furan-2-yl]methylidenehydrazinylidene]-5-[(4-fluorophenyl)methyl]-1,3-thiazolidin-4-one has a molecular weight of 427.89 g/mol, XLogP of 4.90, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,5S)-2-[(Z)-[5-(2-chlorophenyl)furan-2-yl]methylidenehydrazinylidene]-5-[(4-fluorophenyl)methyl]-1,3-thiazolidin-4-one is sourced from PubChem (CID 135878944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).