(2Z,5S)-2-[(Z)-1-(4-methylphenyl)ethylidenehydrazinylidene]-5-phenyl-1,3-thiazolidin-4-one

C18H17N3OS — CID 137172460

IUPAC(2Z,5S)-2-[(Z)-1-(4-methylphenyl)ethylidenehydrazinylidene]-5-phenyl-1,3-thiazolidin-4-one
SMILESC/C(=N/N=C1/NC(=O)[C@H](c2ccccc2)S1)c1ccc(C)cc1
InChIInChI=1S/C18H17N3OS/c1-12-8-10-14(11-9-12)13(2)20-21-18-19-17(22)16(23-18)15-6-4-3-5-7-15/h3-11,16H,1-2H3,(H,19,21,22)/b20-13-/t16-/m0/s1
InChIKeyPOFFFMCPZDEXBH-SMEDBKPVSA-N
MW323.42 g/mol
LogP3.68
Rot. Bonds3

About (2Z,5S)-2-[(Z)-1-(4-methylphenyl)ethylidenehydrazinylidene]-5-phenyl-1,3-thiazolidin-4-one

(2Z,5S)-2-[(Z)-1-(4-methylphenyl)ethylidenehydrazinylidene]-5-phenyl-1,3-thiazolidin-4-one (PubChem CID 137172460) has the molecular formula C18H17N3OS and a molecular weight of 323.42 g/mol. Its IUPAC name is (2Z,5S)-2-[(Z)-1-(4-methylphenyl)ethylidenehydrazinylidene]-5-phenyl-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2Z,5S)-2-[(Z)-1-(4-methylphenyl)ethylidenehydrazinylidene]-5-phenyl-1,3-thiazolidin-4-one
PubChem CID137172460
Molecular FormulaC18H17N3OS
Molecular Weight323.42 g/mol
Exact Mass323.11
IUPAC Name(2Z,5S)-2-[(Z)-1-(4-methylphenyl)ethylidenehydrazinylidene]-5-phenyl-1,3-thiazolidin-4-one
SMILESC/C(=N/N=C1/NC(=O)[C@H](c2ccccc2)S1)c1ccc(C)cc1
InChIInChI=1S/C18H17N3OS/c1-12-8-10-14(11-9-12)13(2)20-21-18-19-17(22)16(23-18)15-6-4-3-5-7-15/h3-11,16H,1-2H3,(H,19,21,22)/b20-13-/t16-/m0/s1
InChIKeyPOFFFMCPZDEXBH-SMEDBKPVSA-N
XLogP3.68
TPSA53.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.42
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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,5S)-5-methyl-2-[(E)-1-(4-methylphenyl)ethylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 136822477
(2Z,5R)-5-methyl-2-[(Z)-1-(4-methylphenyl)ethylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135851403
(5R)-5-methyl-2-(1-phenylethylidenehydrazinylidene)-1,3-thiazolidin-4-one
CID 137195595
2-[(2E)-2-[1-(4-methylphenyl)ethylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetic acid
CID 135753305
(2Z,5R)-5-[(2-methylphenyl)methyl]-2-[(Z)-1-phenylethylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 136678559
5-(4-chlorophenyl)-2-(propan-2-ylidenehydrazinylidene)-1,3-thiazolidin-4-one
CID 135524351
(2E)-5-(4-chlorophenyl)-2-(propan-2-ylidenehydrazinylidene)-1,3-thiazolidin-4-one
CID 135476801
(2Z)-5-(4-chlorophenyl)-2-(propan-2-ylidenehydrazinylidene)-1,3-thiazolidin-4-one
CID 135509611
(6R)-4-oxo-2-(1-phenylethylidenehydrazinylidene)-1,3-thiazinane-6-carboxylic acid
CID 137230444
5-benzyl-2-[(Z)-1-(4-chlorophenyl)ethylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 137184948
5-benzyl-2-[1-(4-chlorophenyl)ethylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135505620
(2Z,5R)-2-[(E)-1-(4-methoxyphenyl)ethylidenehydrazinylidene]-5-[(4-methylphenyl)methyl]-1,3-thiazolidin-4-one
CID 135896137

Frequently Asked Questions

What is the IUPAC name of (2Z,5S)-2-[(Z)-1-(4-methylphenyl)ethylidenehydrazinylidene]-5-phenyl-1,3-thiazolidin-4-one?
The IUPAC name of (2Z,5S)-2-[(Z)-1-(4-methylphenyl)ethylidenehydrazinylidene]-5-phenyl-1,3-thiazolidin-4-one (CID 137172460) is (2Z,5S)-2-[(Z)-1-(4-methylphenyl)ethylidenehydrazinylidene]-5-phenyl-1,3-thiazolidin-4-one.
What is the SMILES notation for (2Z,5S)-2-[(Z)-1-(4-methylphenyl)ethylidenehydrazinylidene]-5-phenyl-1,3-thiazolidin-4-one?
The canonical SMILES for (2Z,5S)-2-[(Z)-1-(4-methylphenyl)ethylidenehydrazinylidene]-5-phenyl-1,3-thiazolidin-4-one is C/C(=N/N=C1/NC(=O)[C@H](c2ccccc2)S1)c1ccc(C)cc1.
What is the InChIKey of (2Z,5S)-2-[(Z)-1-(4-methylphenyl)ethylidenehydrazinylidene]-5-phenyl-1,3-thiazolidin-4-one?
The InChIKey is POFFFMCPZDEXBH-SMEDBKPVSA-N. The full InChI is InChI=1S/C18H17N3OS/c1-12-8-10-14(11-9-12)13(2)20-21-18-19-17(22)16(23-18)15-6-4-3-5-7-15/h3-11,16H,1-2H3,(H,19,21,22)/b20-13-/t16-/m0/s1.
What are the key properties of (2Z,5S)-2-[(Z)-1-(4-methylphenyl)ethylidenehydrazinylidene]-5-phenyl-1,3-thiazolidin-4-one?
(2Z,5S)-2-[(Z)-1-(4-methylphenyl)ethylidenehydrazinylidene]-5-phenyl-1,3-thiazolidin-4-one has a molecular weight of 323.42 g/mol, XLogP of 3.68, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,5S)-2-[(Z)-1-(4-methylphenyl)ethylidenehydrazinylidene]-5-phenyl-1,3-thiazolidin-4-one is sourced from PubChem (CID 137172460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).