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

C18H17N3O2S — CID 137231427

IUPAC(5R)-2-[(2-hydroxyphenyl)methylidenehydrazinylidene]-5-[(4-methylphenyl)methyl]-1,3-thiazolidin-4-one
SMILESCc1ccc(C[C@H]2SC(=NN=Cc3ccccc3O)NC2=O)cc1
InChIInChI=1S/C18H17N3O2S/c1-12-6-8-13(9-7-12)10-16-17(23)20-18(24-16)21-19-11-14-4-2-3-5-15(14)22/h2-9,11,16,22H,10H2,1H3,(H,20,21,23)/t16-/m1/s1
InChIKeySGXSBAAMNOMVAN-MRXNPFEDSA-N
MW339.42 g/mol
LogP2.86
Rot. Bonds4

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

(5R)-2-[(2-hydroxyphenyl)methylidenehydrazinylidene]-5-[(4-methylphenyl)methyl]-1,3-thiazolidin-4-one (PubChem CID 137231427) has the molecular formula C18H17N3O2S and a molecular weight of 339.42 g/mol. Its IUPAC name is (5R)-2-[(2-hydroxyphenyl)methylidenehydrazinylidene]-5-[(4-methylphenyl)methyl]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5R)-2-[(2-hydroxyphenyl)methylidenehydrazinylidene]-5-[(4-methylphenyl)methyl]-1,3-thiazolidin-4-one
PubChem CID137231427
Molecular FormulaC18H17N3O2S
Molecular Weight339.42 g/mol
Exact Mass339.10
IUPAC Name(5R)-2-[(2-hydroxyphenyl)methylidenehydrazinylidene]-5-[(4-methylphenyl)methyl]-1,3-thiazolidin-4-one
SMILESCc1ccc(C[C@H]2SC(=NN=Cc3ccccc3O)NC2=O)cc1
InChIInChI=1S/C18H17N3O2S/c1-12-6-8-13(9-7-12)10-16-17(23)20-18(24-16)21-19-11-14-4-2-3-5-15(14)22/h2-9,11,16,22H,10H2,1H3,(H,20,21,23)/t16-/m1/s1
InChIKeySGXSBAAMNOMVAN-MRXNPFEDSA-N
XLogP2.86
TPSA74.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2E,5R)-5-benzyl-2-[(E)-(2-hydroxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135851356
(5S)-5-[(4-bromophenyl)methyl]-2-[(2-hydroxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 137231530
(5R)-5-[(4-bromophenyl)methyl]-2-[(2-hydroxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 137231531
(2E,5S)-5-[(4-chlorophenyl)methyl]-2-[(E)-(2-hydroxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135851532
(2E,5R)-5-[(4-chlorophenyl)methyl]-2-[(E)-(2-hydroxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135851357
(2E)-5-[(4-chlorophenyl)methyl]-2-[(E)-(2-hydroxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135426189
(2Z,5R)-2-[(2-methoxyphenyl)methylidenehydrazinylidene]-5-[(4-methylphenyl)methyl]-1,3-thiazolidin-4-one
CID 135951942
(2E)-2-[(E)-(2-methoxyphenyl)methylidenehydrazinylidene]-5-[(4-methylphenyl)methyl]-1,3-thiazolidin-4-one
CID 135643804
(2E,5R)-2-[(Z)-benzylidenehydrazinylidene]-5-[(4-methylphenyl)methyl]-1,3-thiazolidin-4-one
CID 135726150
(2E)-2-[(E)-benzylidenehydrazinylidene]-5-[(4-methylphenyl)methyl]-1,3-thiazolidin-4-one
CID 135536240
5-[(4-methylphenyl)methyl]-2-[(E)-thiophen-2-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 137186427
(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 (5R)-2-[(2-hydroxyphenyl)methylidenehydrazinylidene]-5-[(4-methylphenyl)methyl]-1,3-thiazolidin-4-one?
The IUPAC name of (5R)-2-[(2-hydroxyphenyl)methylidenehydrazinylidene]-5-[(4-methylphenyl)methyl]-1,3-thiazolidin-4-one (CID 137231427) is (5R)-2-[(2-hydroxyphenyl)methylidenehydrazinylidene]-5-[(4-methylphenyl)methyl]-1,3-thiazolidin-4-one.
What is the SMILES notation for (5R)-2-[(2-hydroxyphenyl)methylidenehydrazinylidene]-5-[(4-methylphenyl)methyl]-1,3-thiazolidin-4-one?
The canonical SMILES for (5R)-2-[(2-hydroxyphenyl)methylidenehydrazinylidene]-5-[(4-methylphenyl)methyl]-1,3-thiazolidin-4-one is Cc1ccc(C[C@H]2SC(=NN=Cc3ccccc3O)NC2=O)cc1.
What is the InChIKey of (5R)-2-[(2-hydroxyphenyl)methylidenehydrazinylidene]-5-[(4-methylphenyl)methyl]-1,3-thiazolidin-4-one?
The InChIKey is SGXSBAAMNOMVAN-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H17N3O2S/c1-12-6-8-13(9-7-12)10-16-17(23)20-18(24-16)21-19-11-14-4-2-3-5-15(14)22/h2-9,11,16,22H,10H2,1H3,(H,20,21,23)/t16-/m1/s1.
What are the key properties of (5R)-2-[(2-hydroxyphenyl)methylidenehydrazinylidene]-5-[(4-methylphenyl)methyl]-1,3-thiazolidin-4-one?
(5R)-2-[(2-hydroxyphenyl)methylidenehydrazinylidene]-5-[(4-methylphenyl)methyl]-1,3-thiazolidin-4-one has a molecular weight of 339.42 g/mol, XLogP of 2.86, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-2-[(2-hydroxyphenyl)methylidenehydrazinylidene]-5-[(4-methylphenyl)methyl]-1,3-thiazolidin-4-one is sourced from PubChem (CID 137231427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).