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

C19H19N3O2S — CID 135951942

IUPAC(2Z,5R)-2-[(2-methoxyphenyl)methylidenehydrazinylidene]-5-[(4-methylphenyl)methyl]-1,3-thiazolidin-4-one
SMILESCOc1ccccc1C=N/N=C1/NC(=O)[C@@H](Cc2ccc(C)cc2)S1
InChIInChI=1S/C19H19N3O2S/c1-13-7-9-14(10-8-13)11-17-18(23)21-19(25-17)22-20-12-15-5-3-4-6-16(15)24-2/h3-10,12,17H,11H2,1-2H3,(H,21,22,23)/t17-/m1/s1
InChIKeyCBPAREIDRDCLGD-QGZVFWFLSA-N
MW353.45 g/mol
LogP3.17
Rot. Bonds5

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

(2Z,5R)-2-[(2-methoxyphenyl)methylidenehydrazinylidene]-5-[(4-methylphenyl)methyl]-1,3-thiazolidin-4-one (PubChem CID 135951942) has the molecular formula C19H19N3O2S and a molecular weight of 353.45 g/mol. Its IUPAC name is (2Z,5R)-2-[(2-methoxyphenyl)methylidenehydrazinylidene]-5-[(4-methylphenyl)methyl]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2Z,5R)-2-[(2-methoxyphenyl)methylidenehydrazinylidene]-5-[(4-methylphenyl)methyl]-1,3-thiazolidin-4-one
PubChem CID135951942
Molecular FormulaC19H19N3O2S
Molecular Weight353.45 g/mol
Exact Mass353.12
IUPAC Name(2Z,5R)-2-[(2-methoxyphenyl)methylidenehydrazinylidene]-5-[(4-methylphenyl)methyl]-1,3-thiazolidin-4-one
SMILESCOc1ccccc1C=N/N=C1/NC(=O)[C@@H](Cc2ccc(C)cc2)S1
InChIInChI=1S/C19H19N3O2S/c1-13-7-9-14(10-8-13)11-17-18(23)21-19(25-17)22-20-12-15-5-3-4-6-16(15)24-2/h3-10,12,17H,11H2,1-2H3,(H,21,22,23)/t17-/m1/s1
InChIKeyCBPAREIDRDCLGD-QGZVFWFLSA-N
XLogP3.17
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.45
LogP ≤ 53.17
H-Bond Donors ≤ 51
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

(2E)-2-[(E)-(2-methoxyphenyl)methylidenehydrazinylidene]-5-[(4-methylphenyl)methyl]-1,3-thiazolidin-4-one
CID 135643804
(2Z)-5-[(4-bromophenyl)methyl]-2-[(2-methoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135930660
(2E,5R)-5-[(4-ethoxyphenyl)methyl]-2-[(Z)-(2-methoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135726136
(5R)-2-[(2-hydroxyphenyl)methylidenehydrazinylidene]-5-[(4-methylphenyl)methyl]-1,3-thiazolidin-4-one
CID 137231427
(2Z)-5-[(4-methylphenyl)methyl]-2-[(3,4,5-trimethoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135932220
(2E)-2-[(E)-benzylidenehydrazinylidene]-5-[(4-methylphenyl)methyl]-1,3-thiazolidin-4-one
CID 135536240
(2E,5R)-2-[(Z)-benzylidenehydrazinylidene]-5-[(4-methylphenyl)methyl]-1,3-thiazolidin-4-one
CID 135726150
(2Z)-5-[(4-fluorophenyl)methyl]-2-[(2-propan-2-yloxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135800830
2-[(2Z,5S)-2-[(Z)-(2-methoxyphenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetic acid
CID 135705138
(2Z)-2-[(2-butoxyphenyl)methylidenehydrazinylidene]-5-[(4-ethylphenyl)methyl]-1,3-thiazolidin-4-one
CID 135681471
(2Z)-2-[(E)-(2-chlorophenyl)methylidenehydrazinylidene]-5-[(4-methoxyphenyl)methyl]-1,3-thiazolidin-4-one
CID 135635544
(2Z,5R)-2-[(Z)-(2-chlorophenyl)methylidenehydrazinylidene]-5-[(4-methoxyphenyl)methyl]-1,3-thiazolidin-4-one
CID 136803369

Frequently Asked Questions

What is the IUPAC name of (2Z,5R)-2-[(2-methoxyphenyl)methylidenehydrazinylidene]-5-[(4-methylphenyl)methyl]-1,3-thiazolidin-4-one?
The IUPAC name of (2Z,5R)-2-[(2-methoxyphenyl)methylidenehydrazinylidene]-5-[(4-methylphenyl)methyl]-1,3-thiazolidin-4-one (CID 135951942) is (2Z,5R)-2-[(2-methoxyphenyl)methylidenehydrazinylidene]-5-[(4-methylphenyl)methyl]-1,3-thiazolidin-4-one.
What is the SMILES notation for (2Z,5R)-2-[(2-methoxyphenyl)methylidenehydrazinylidene]-5-[(4-methylphenyl)methyl]-1,3-thiazolidin-4-one?
The canonical SMILES for (2Z,5R)-2-[(2-methoxyphenyl)methylidenehydrazinylidene]-5-[(4-methylphenyl)methyl]-1,3-thiazolidin-4-one is COc1ccccc1C=N/N=C1/NC(=O)[C@@H](Cc2ccc(C)cc2)S1.
What is the InChIKey of (2Z,5R)-2-[(2-methoxyphenyl)methylidenehydrazinylidene]-5-[(4-methylphenyl)methyl]-1,3-thiazolidin-4-one?
The InChIKey is CBPAREIDRDCLGD-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H19N3O2S/c1-13-7-9-14(10-8-13)11-17-18(23)21-19(25-17)22-20-12-15-5-3-4-6-16(15)24-2/h3-10,12,17H,11H2,1-2H3,(H,21,22,23)/t17-/m1/s1.
What are the key properties of (2Z,5R)-2-[(2-methoxyphenyl)methylidenehydrazinylidene]-5-[(4-methylphenyl)methyl]-1,3-thiazolidin-4-one?
(2Z,5R)-2-[(2-methoxyphenyl)methylidenehydrazinylidene]-5-[(4-methylphenyl)methyl]-1,3-thiazolidin-4-one has a molecular weight of 353.45 g/mol, XLogP of 3.17, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,5R)-2-[(2-methoxyphenyl)methylidenehydrazinylidene]-5-[(4-methylphenyl)methyl]-1,3-thiazolidin-4-one is sourced from PubChem (CID 135951942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).