(2Z,5R)-5-[(2-methylphenyl)methyl]-2-[(Z)-1-phenylethylidenehydrazinylidene]-1,3-thiazolidin-4-one

C19H19N3OS — CID 136678559

IUPAC(2Z,5R)-5-[(2-methylphenyl)methyl]-2-[(Z)-1-phenylethylidenehydrazinylidene]-1,3-thiazolidin-4-one
SMILESC/C(=N/N=C1/NC(=O)[C@@H](Cc2ccccc2C)S1)c1ccccc1
InChIInChI=1S/C19H19N3OS/c1-13-8-6-7-11-16(13)12-17-18(23)20-19(24-17)22-21-14(2)15-9-4-3-5-10-15/h3-11,17H,12H2,1-2H3,(H,20,22,23)/b21-14-/t17-/m1/s1
InChIKeyKMJBWWOBPAHOSF-RHTHQAGFSA-N
MW337.45 g/mol
LogP3.55
Rot. Bonds4

About (2Z,5R)-5-[(2-methylphenyl)methyl]-2-[(Z)-1-phenylethylidenehydrazinylidene]-1,3-thiazolidin-4-one

(2Z,5R)-5-[(2-methylphenyl)methyl]-2-[(Z)-1-phenylethylidenehydrazinylidene]-1,3-thiazolidin-4-one (PubChem CID 136678559) has the molecular formula C19H19N3OS and a molecular weight of 337.45 g/mol. Its IUPAC name is (2Z,5R)-5-[(2-methylphenyl)methyl]-2-[(Z)-1-phenylethylidenehydrazinylidene]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2Z,5R)-5-[(2-methylphenyl)methyl]-2-[(Z)-1-phenylethylidenehydrazinylidene]-1,3-thiazolidin-4-one
PubChem CID136678559
Molecular FormulaC19H19N3OS
Molecular Weight337.45 g/mol
Exact Mass337.12
IUPAC Name(2Z,5R)-5-[(2-methylphenyl)methyl]-2-[(Z)-1-phenylethylidenehydrazinylidene]-1,3-thiazolidin-4-one
SMILESC/C(=N/N=C1/NC(=O)[C@@H](Cc2ccccc2C)S1)c1ccccc1
InChIInChI=1S/C19H19N3OS/c1-13-8-6-7-11-16(13)12-17-18(23)20-19(24-17)22-21-14(2)15-9-4-3-5-10-15/h3-11,17H,12H2,1-2H3,(H,20,22,23)/b21-14-/t17-/m1/s1
InChIKeyKMJBWWOBPAHOSF-RHTHQAGFSA-N
XLogP3.55
TPSA53.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.45
LogP ≤ 53.55
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)-2-[(Z)-1-(4-fluorophenyl)ethylidenehydrazinylidene]-5-[(2-methylphenyl)methyl]-1,3-thiazolidin-4-one
CID 135788955
(2E,5S)-5-[(4-bromophenyl)methyl]-2-[(E)-1-phenylethylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135749689
5-[(4-bromophenyl)methyl]-2-(1-phenylethylidenehydrazinylidene)-1,3-thiazolidin-4-one
CID 135502494
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
(2E,5S)-2-[(Z)-benzylidenehydrazinylidene]-5-[(2-methylphenyl)methyl]-1,3-thiazolidin-4-one
CID 135851686
(2E,5R)-5-[(2-methylphenyl)methyl]-2-[(2-methylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135856621
N-(2,3-dimethylphenyl)-2-[(2E,5R)-4-oxo-2-[(Z)-1-phenylethylidenehydrazinylidene]-1,3-thiazolidin-5-yl]acetamide
CID 135828395
N-(2,3-dimethylphenyl)-2-[(2E,5S)-4-oxo-2-[(Z)-1-phenylethylidenehydrazinylidene]-1,3-thiazolidin-5-yl]acetamide
CID 135828396
(5R)-5-methyl-2-(1-phenylethylidenehydrazinylidene)-1,3-thiazolidin-4-one
CID 137195595
N-ethyl-2-[4-oxo-2-[(E)-1-phenylethylidenehydrazinylidene]-1,3-thiazolidin-5-yl]acetamide
CID 172942517
N-ethyl-2-[(5R)-4-oxo-2-[(Z)-1-phenylethylidenehydrazinylidene]-1,3-thiazolidin-5-yl]acetamide
CID 137085060

Frequently Asked Questions

What is the IUPAC name of (2Z,5R)-5-[(2-methylphenyl)methyl]-2-[(Z)-1-phenylethylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The IUPAC name of (2Z,5R)-5-[(2-methylphenyl)methyl]-2-[(Z)-1-phenylethylidenehydrazinylidene]-1,3-thiazolidin-4-one (CID 136678559) is (2Z,5R)-5-[(2-methylphenyl)methyl]-2-[(Z)-1-phenylethylidenehydrazinylidene]-1,3-thiazolidin-4-one.
What is the SMILES notation for (2Z,5R)-5-[(2-methylphenyl)methyl]-2-[(Z)-1-phenylethylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The canonical SMILES for (2Z,5R)-5-[(2-methylphenyl)methyl]-2-[(Z)-1-phenylethylidenehydrazinylidene]-1,3-thiazolidin-4-one is C/C(=N/N=C1/NC(=O)[C@@H](Cc2ccccc2C)S1)c1ccccc1.
What is the InChIKey of (2Z,5R)-5-[(2-methylphenyl)methyl]-2-[(Z)-1-phenylethylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The InChIKey is KMJBWWOBPAHOSF-RHTHQAGFSA-N. The full InChI is InChI=1S/C19H19N3OS/c1-13-8-6-7-11-16(13)12-17-18(23)20-19(24-17)22-21-14(2)15-9-4-3-5-10-15/h3-11,17H,12H2,1-2H3,(H,20,22,23)/b21-14-/t17-/m1/s1.
What are the key properties of (2Z,5R)-5-[(2-methylphenyl)methyl]-2-[(Z)-1-phenylethylidenehydrazinylidene]-1,3-thiazolidin-4-one?
(2Z,5R)-5-[(2-methylphenyl)methyl]-2-[(Z)-1-phenylethylidenehydrazinylidene]-1,3-thiazolidin-4-one has a molecular weight of 337.45 g/mol, XLogP of 3.55, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,5R)-5-[(2-methylphenyl)methyl]-2-[(Z)-1-phenylethylidenehydrazinylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 136678559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).