2-[(2Z,5R)-4-oxo-2-[(3,3,5-trimethylcyclohexa-1,5-dien-1-yl)hydrazinylidene]-1,3-thiazolidin-5-yl]-N-phenylacetamide

C20H24N4O2S — CID 135827817

IUPAC2-[(2Z,5R)-4-oxo-2-[(3,3,5-trimethylcyclohexa-1,5-dien-1-yl)hydrazinylidene]-1,3-thiazolidin-5-yl]-N-phenylacetamide
SMILESCC1=CC(N/N=C2/NC(=O)[C@@H](CC(=O)Nc3ccccc3)S2)=CC(C)(C)C1
InChIInChI=1S/C20H24N4O2S/c1-13-9-15(12-20(2,3)11-13)23-24-19-22-18(26)16(27-19)10-17(25)21-14-7-5-4-6-8-14/h4-9,12,16,23H,10-11H2,1-3H3,(H,21,25)(H,22,24,26)/t16-/m1/s1
InChIKeyAWJWVOGBEHQZAI-MRXNPFEDSA-N
MW384.51 g/mol
LogP3.37
Rot. Bonds5

About 2-[(2Z,5R)-4-oxo-2-[(3,3,5-trimethylcyclohexa-1,5-dien-1-yl)hydrazinylidene]-1,3-thiazolidin-5-yl]-N-phenylacetamide

2-[(2Z,5R)-4-oxo-2-[(3,3,5-trimethylcyclohexa-1,5-dien-1-yl)hydrazinylidene]-1,3-thiazolidin-5-yl]-N-phenylacetamide (PubChem CID 135827817) has the molecular formula C20H24N4O2S and a molecular weight of 384.51 g/mol. Its IUPAC name is 2-[(2Z,5R)-4-oxo-2-[(3,3,5-trimethylcyclohexa-1,5-dien-1-yl)hydrazinylidene]-1,3-thiazolidin-5-yl]-N-phenylacetamide.

Molecular Properties

Compound Name2-[(2Z,5R)-4-oxo-2-[(3,3,5-trimethylcyclohexa-1,5-dien-1-yl)hydrazinylidene]-1,3-thiazolidin-5-yl]-N-phenylacetamide
PubChem CID135827817
Molecular FormulaC20H24N4O2S
Molecular Weight384.51 g/mol
Exact Mass384.16
IUPAC Name2-[(2Z,5R)-4-oxo-2-[(3,3,5-trimethylcyclohexa-1,5-dien-1-yl)hydrazinylidene]-1,3-thiazolidin-5-yl]-N-phenylacetamide
SMILESCC1=CC(N/N=C2/NC(=O)[C@@H](CC(=O)Nc3ccccc3)S2)=CC(C)(C)C1
InChIInChI=1S/C20H24N4O2S/c1-13-9-15(12-20(2,3)11-13)23-24-19-22-18(26)16(27-19)10-17(25)21-14-7-5-4-6-8-14/h4-9,12,16,23H,10-11H2,1-3H3,(H,21,25)(H,22,24,26)/t16-/m1/s1
InChIKeyAWJWVOGBEHQZAI-MRXNPFEDSA-N
XLogP3.37
TPSA82.59 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.51
LogP ≤ 53.37
H-Bond Donors ≤ 53
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

N-(4-methylphenyl)-2-[(2Z)-4-oxo-2-(phenylhydrazinylidene)-1,3-thiazolidin-5-yl]acetamide
CID 135715134
2-[(2E,5S)-4-oxo-2-[(E)-(3,5,5-trimethylcyclohex-2-en-1-ylidene)hydrazinylidene]-1,3-thiazolidin-5-yl]-N-phenylacetamide
CID 135828464
N-(4-fluorophenyl)-2-[(2E,5R)-4-oxo-2-(phenylhydrazinylidene)-1,3-thiazolidin-5-yl]acetamide
CID 135618401
N-(4-fluorophenyl)-2-[(5R)-4-oxo-2-(phenylhydrazinylidene)-1,3-thiazolidin-5-yl]acetamide
CID 136817665
2-[(2E,5R)-4-oxo-2-(phenylhydrazinylidene)-1,3-thiazolidin-5-yl]-N-(4-propoxyphenyl)acetamide
CID 135618450
N-(2-methylphenyl)-2-[(2E,5R)-4-oxo-2-(phenylhydrazinylidene)-1,3-thiazolidin-5-yl]acetamide
CID 135618436
N-(2,6-dimethylphenyl)-2-[(2E,5S)-4-oxo-2-(phenylhydrazinylidene)-1,3-thiazolidin-5-yl]acetamide
CID 135618409
2-[(5R)-2-ethylimino-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide
CID 135692217
N-(2-chlorophenyl)-2-[(2E,5S)-4-oxo-2-(phenylhydrazinylidene)-1,3-thiazolidin-5-yl]acetamide
CID 135618422
N-naphthalen-2-yl-2-[(2E,5R)-4-oxo-2-(phenylhydrazinylidene)-1,3-thiazolidin-5-yl]acetamide
CID 135618393
N-(3-chlorophenyl)-2-[(2E,5R)-4-oxo-2-(phenylhydrazinylidene)-1,3-thiazolidin-5-yl]acetamide
CID 135618411
2-[2-(ethylidenehydrazinylidene)-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide
CID 135510892

Frequently Asked Questions

What is the IUPAC name of 2-[(2Z,5R)-4-oxo-2-[(3,3,5-trimethylcyclohexa-1,5-dien-1-yl)hydrazinylidene]-1,3-thiazolidin-5-yl]-N-phenylacetamide?
The IUPAC name of 2-[(2Z,5R)-4-oxo-2-[(3,3,5-trimethylcyclohexa-1,5-dien-1-yl)hydrazinylidene]-1,3-thiazolidin-5-yl]-N-phenylacetamide (CID 135827817) is 2-[(2Z,5R)-4-oxo-2-[(3,3,5-trimethylcyclohexa-1,5-dien-1-yl)hydrazinylidene]-1,3-thiazolidin-5-yl]-N-phenylacetamide.
What is the SMILES notation for 2-[(2Z,5R)-4-oxo-2-[(3,3,5-trimethylcyclohexa-1,5-dien-1-yl)hydrazinylidene]-1,3-thiazolidin-5-yl]-N-phenylacetamide?
The canonical SMILES for 2-[(2Z,5R)-4-oxo-2-[(3,3,5-trimethylcyclohexa-1,5-dien-1-yl)hydrazinylidene]-1,3-thiazolidin-5-yl]-N-phenylacetamide is CC1=CC(N/N=C2/NC(=O)[C@@H](CC(=O)Nc3ccccc3)S2)=CC(C)(C)C1.
What is the InChIKey of 2-[(2Z,5R)-4-oxo-2-[(3,3,5-trimethylcyclohexa-1,5-dien-1-yl)hydrazinylidene]-1,3-thiazolidin-5-yl]-N-phenylacetamide?
The InChIKey is AWJWVOGBEHQZAI-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H24N4O2S/c1-13-9-15(12-20(2,3)11-13)23-24-19-22-18(26)16(27-19)10-17(25)21-14-7-5-4-6-8-14/h4-9,12,16,23H,10-11H2,1-3H3,(H,21,25)(H,22,24,26)/t16-/m1/s1.
What are the key properties of 2-[(2Z,5R)-4-oxo-2-[(3,3,5-trimethylcyclohexa-1,5-dien-1-yl)hydrazinylidene]-1,3-thiazolidin-5-yl]-N-phenylacetamide?
2-[(2Z,5R)-4-oxo-2-[(3,3,5-trimethylcyclohexa-1,5-dien-1-yl)hydrazinylidene]-1,3-thiazolidin-5-yl]-N-phenylacetamide has a molecular weight of 384.51 g/mol, XLogP of 3.37, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2Z,5R)-4-oxo-2-[(3,3,5-trimethylcyclohexa-1,5-dien-1-yl)hydrazinylidene]-1,3-thiazolidin-5-yl]-N-phenylacetamide is sourced from PubChem (CID 135827817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).