(2Z,5S)-3-benzyl-2-[(Z)-(4-methoxyphenyl)methylidenehydrazinylidene]-5-propyl-1,3-thiazolidin-4-one

C21H23N3O2S — CID 6885265

IUPAC(2Z,5S)-3-benzyl-2-[(Z)-(4-methoxyphenyl)methylidenehydrazinylidene]-5-propyl-1,3-thiazolidin-4-one
SMILESCCC[C@@H]1S/C(=N\N=C/c2ccc(OC)cc2)N(Cc2ccccc2)C1=O
InChIInChI=1S/C21H23N3O2S/c1-3-7-19-20(25)24(15-17-8-5-4-6-9-17)21(27-19)23-22-14-16-10-12-18(26-2)13-11-16/h4-6,8-14,19H,3,7,15H2,1-2H3/b22-14-,23-21-/t19-/m0/s1
InChIKeyWTXYTRDODISRJZ-KMSYZHFFSA-N
MW381.50 g/mol
LogP4.33
Rot. Bonds7

About (2Z,5S)-3-benzyl-2-[(Z)-(4-methoxyphenyl)methylidenehydrazinylidene]-5-propyl-1,3-thiazolidin-4-one

(2Z,5S)-3-benzyl-2-[(Z)-(4-methoxyphenyl)methylidenehydrazinylidene]-5-propyl-1,3-thiazolidin-4-one (PubChem CID 6885265) has the molecular formula C21H23N3O2S and a molecular weight of 381.50 g/mol. Its IUPAC name is (2Z,5S)-3-benzyl-2-[(Z)-(4-methoxyphenyl)methylidenehydrazinylidene]-5-propyl-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2Z,5S)-3-benzyl-2-[(Z)-(4-methoxyphenyl)methylidenehydrazinylidene]-5-propyl-1,3-thiazolidin-4-one
PubChem CID6885265
Molecular FormulaC21H23N3O2S
Molecular Weight381.50 g/mol
Exact Mass381.15
IUPAC Name(2Z,5S)-3-benzyl-2-[(Z)-(4-methoxyphenyl)methylidenehydrazinylidene]-5-propyl-1,3-thiazolidin-4-one
SMILESCCC[C@@H]1S/C(=N\N=C/c2ccc(OC)cc2)N(Cc2ccccc2)C1=O
InChIInChI=1S/C21H23N3O2S/c1-3-7-19-20(25)24(15-17-8-5-4-6-9-17)21(27-19)23-22-14-16-10-12-18(26-2)13-11-16/h4-6,8-14,19H,3,7,15H2,1-2H3/b22-14-,23-21-/t19-/m0/s1
InChIKeyWTXYTRDODISRJZ-KMSYZHFFSA-N
XLogP4.33
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.50
LogP ≤ 54.33
H-Bond Donors ≤ 50
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,5R)-3-benzyl-2-[(Z)-(4-methoxyphenyl)methylidenehydrazinylidene]-5-methyl-1,3-thiazolidin-4-one
CID 7404039
(2Z,5R)-3-benzyl-5-[(4-fluorophenyl)methyl]-2-[(Z)-(4-methoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 40972053
(2Z)-2-[(E)-benzylidenehydrazinylidene]-3-[(4-fluorophenyl)methyl]-5-propyl-1,3-thiazolidin-4-one
CID 46861462
(2Z,5S)-3-benzyl-5-butyl-2-[(Z)-(4-chlorophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 7412162
(2Z,5S)-3-benzyl-5-butyl-2-[(Z)-(4-methylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 7407970
2-[(4-chlorophenyl)methylidenehydrazinylidene]-5-ethyl-3-[(4-methoxyphenyl)methyl]-1,3-thiazolidin-4-one
CID 3700481
(2Z,5S)-5-butyl-3-[(4-methoxyphenyl)methyl]-2-[(Z)-(2-methoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 7461310
(2Z,5R)-5-butyl-3-[(4-methoxyphenyl)methyl]-2-[(Z)-(2-methoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 7461309
(2Z,5R)-5-butyl-3-[(4-methoxyphenyl)methyl]-2-[(Z)-thiophen-2-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 7472270
2-[(4-bromophenyl)methylidenehydrazinylidene]-3-[(4-fluorophenyl)methyl]-5-propyl-1,3-thiazolidin-4-one
CID 3733865
(2Z,5R)-2-[(Z)-benzylidenehydrazinylidene]-5-butyl-3-[(4-fluorophenyl)methyl]-1,3-thiazolidin-4-one
CID 7409708
(2E,5S)-2-[(Z)-(3,4-dimethoxyphenyl)methylidenehydrazinylidene]-3-[(2-methylphenyl)methyl]-5-propyl-1,3-thiazolidin-4-one
CID 6580519

Frequently Asked Questions

What is the IUPAC name of (2Z,5S)-3-benzyl-2-[(Z)-(4-methoxyphenyl)methylidenehydrazinylidene]-5-propyl-1,3-thiazolidin-4-one?
The IUPAC name of (2Z,5S)-3-benzyl-2-[(Z)-(4-methoxyphenyl)methylidenehydrazinylidene]-5-propyl-1,3-thiazolidin-4-one (CID 6885265) is (2Z,5S)-3-benzyl-2-[(Z)-(4-methoxyphenyl)methylidenehydrazinylidene]-5-propyl-1,3-thiazolidin-4-one.
What is the SMILES notation for (2Z,5S)-3-benzyl-2-[(Z)-(4-methoxyphenyl)methylidenehydrazinylidene]-5-propyl-1,3-thiazolidin-4-one?
The canonical SMILES for (2Z,5S)-3-benzyl-2-[(Z)-(4-methoxyphenyl)methylidenehydrazinylidene]-5-propyl-1,3-thiazolidin-4-one is CCC[C@@H]1S/C(=N\N=C/c2ccc(OC)cc2)N(Cc2ccccc2)C1=O.
What is the InChIKey of (2Z,5S)-3-benzyl-2-[(Z)-(4-methoxyphenyl)methylidenehydrazinylidene]-5-propyl-1,3-thiazolidin-4-one?
The InChIKey is WTXYTRDODISRJZ-KMSYZHFFSA-N. The full InChI is InChI=1S/C21H23N3O2S/c1-3-7-19-20(25)24(15-17-8-5-4-6-9-17)21(27-19)23-22-14-16-10-12-18(26-2)13-11-16/h4-6,8-14,19H,3,7,15H2,1-2H3/b22-14-,23-21-/t19-/m0/s1.
What are the key properties of (2Z,5S)-3-benzyl-2-[(Z)-(4-methoxyphenyl)methylidenehydrazinylidene]-5-propyl-1,3-thiazolidin-4-one?
(2Z,5S)-3-benzyl-2-[(Z)-(4-methoxyphenyl)methylidenehydrazinylidene]-5-propyl-1,3-thiazolidin-4-one has a molecular weight of 381.50 g/mol, XLogP of 4.33, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,5S)-3-benzyl-2-[(Z)-(4-methoxyphenyl)methylidenehydrazinylidene]-5-propyl-1,3-thiazolidin-4-one is sourced from PubChem (CID 6885265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).