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

C13H15N3OS — CID 136822477

IUPAC(2Z,5S)-5-methyl-2-[(E)-1-(4-methylphenyl)ethylidenehydrazinylidene]-1,3-thiazolidin-4-one
SMILESC/C(=N\N=C1\NC(=O)[C@H](C)S1)c1ccc(C)cc1
InChIInChI=1S/C13H15N3OS/c1-8-4-6-11(7-5-8)9(2)15-16-13-14-12(17)10(3)18-13/h4-7,10H,1-3H3,(H,14,16,17)/b15-9+/t10-/m0/s1
InChIKeyCWKACXFHLMMIFM-CNOAHFENSA-N
MW261.35 g/mol
LogP2.33
Rot. Bonds2

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

(2Z,5S)-5-methyl-2-[(E)-1-(4-methylphenyl)ethylidenehydrazinylidene]-1,3-thiazolidin-4-one (PubChem CID 136822477) has the molecular formula C13H15N3OS and a molecular weight of 261.35 g/mol. Its IUPAC name is (2Z,5S)-5-methyl-2-[(E)-1-(4-methylphenyl)ethylidenehydrazinylidene]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2Z,5S)-5-methyl-2-[(E)-1-(4-methylphenyl)ethylidenehydrazinylidene]-1,3-thiazolidin-4-one
PubChem CID136822477
Molecular FormulaC13H15N3OS
Molecular Weight261.35 g/mol
Exact Mass261.09
IUPAC Name(2Z,5S)-5-methyl-2-[(E)-1-(4-methylphenyl)ethylidenehydrazinylidene]-1,3-thiazolidin-4-one
SMILESC/C(=N\N=C1\NC(=O)[C@H](C)S1)c1ccc(C)cc1
InChIInChI=1S/C13H15N3OS/c1-8-4-6-11(7-5-8)9(2)15-16-13-14-12(17)10(3)18-13/h4-7,10H,1-3H3,(H,14,16,17)/b15-9+/t10-/m0/s1
InChIKeyCWKACXFHLMMIFM-CNOAHFENSA-N
XLogP2.33
TPSA53.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.35
LogP ≤ 52.33
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,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
(2E,5R)-5-methyl-2-[(E)-1-naphthalen-2-ylethylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 136728737
(2Z,5S)-2-[(Z)-1-(4-methylphenyl)ethylidenehydrazinylidene]-5-phenyl-1,3-thiazolidin-4-one
CID 137172460
2-[(2E)-2-[1-(4-methylphenyl)ethylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetic acid
CID 135753305
(2Z)-5-methyl-2-(propan-2-ylidenehydrazinylidene)-1,3-thiazolidin-4-one
CID 135941737
(2Z,5R)-2-[(Z)-1-(furan-2-yl)ethylidenehydrazinylidene]-5-methyl-1,3-thiazolidin-4-one
CID 135900795
(2Z,5S)-5-methyl-2-[(Z)-(4-methylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135852057
(2E)-5-methyl-2-[(4-methylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135925722
(2E,5S)-2-[(E)-1-(4-methoxyphenyl)ethylidenehydrazinylidene]-5-[(4-methylphenyl)methyl]-1,3-thiazolidin-4-one
CID 135749663
(2Z,5R)-2-[(E)-1-(4-methoxyphenyl)ethylidenehydrazinylidene]-5-[(4-methylphenyl)methyl]-1,3-thiazolidin-4-one
CID 135896137
(2Z,5S)-5-methyl-2-[(E)-1-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)ethylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135674822

Frequently Asked Questions

What is the IUPAC name of (2Z,5S)-5-methyl-2-[(E)-1-(4-methylphenyl)ethylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The IUPAC name of (2Z,5S)-5-methyl-2-[(E)-1-(4-methylphenyl)ethylidenehydrazinylidene]-1,3-thiazolidin-4-one (CID 136822477) is (2Z,5S)-5-methyl-2-[(E)-1-(4-methylphenyl)ethylidenehydrazinylidene]-1,3-thiazolidin-4-one.
What is the SMILES notation for (2Z,5S)-5-methyl-2-[(E)-1-(4-methylphenyl)ethylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The canonical SMILES for (2Z,5S)-5-methyl-2-[(E)-1-(4-methylphenyl)ethylidenehydrazinylidene]-1,3-thiazolidin-4-one is C/C(=N\N=C1\NC(=O)[C@H](C)S1)c1ccc(C)cc1.
What is the InChIKey of (2Z,5S)-5-methyl-2-[(E)-1-(4-methylphenyl)ethylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The InChIKey is CWKACXFHLMMIFM-CNOAHFENSA-N. The full InChI is InChI=1S/C13H15N3OS/c1-8-4-6-11(7-5-8)9(2)15-16-13-14-12(17)10(3)18-13/h4-7,10H,1-3H3,(H,14,16,17)/b15-9+/t10-/m0/s1.
What are the key properties of (2Z,5S)-5-methyl-2-[(E)-1-(4-methylphenyl)ethylidenehydrazinylidene]-1,3-thiazolidin-4-one?
(2Z,5S)-5-methyl-2-[(E)-1-(4-methylphenyl)ethylidenehydrazinylidene]-1,3-thiazolidin-4-one has a molecular weight of 261.35 g/mol, XLogP of 2.33, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,5S)-5-methyl-2-[(E)-1-(4-methylphenyl)ethylidenehydrazinylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 136822477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).