2-[(2E,5R)-2-[(Z)-3,4-dihydro-2H-naphthalen-1-ylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]-N-(2-methoxyphenyl)acetamide

C22H22N4O3S — CID 135572131

IUPAC2-[(2E,5R)-2-[(Z)-3,4-dihydro-2H-naphthalen-1-ylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]-N-(2-methoxyphenyl)acetamide
SMILESCOc1ccccc1NC(=O)C[C@H]1S/C(=N/N=C2/CCCc3ccccc32)NC1=O
InChIInChI=1S/C22H22N4O3S/c1-29-18-12-5-4-10-17(18)23-20(27)13-19-21(28)24-22(30-19)26-25-16-11-6-8-14-7-2-3-9-15(14)16/h2-5,7,9-10,12,19H,6,8,11,13H2,1H3,(H,23,27)(H,24,26,28)/b25-16-/t19-/m1/s1
InChIKeyAGVWNLBHZFOXNP-UFAQQFSPSA-N
MW422.51 g/mol
LogP3.35
Rot. Bonds5

About 2-[(2E,5R)-2-[(Z)-3,4-dihydro-2H-naphthalen-1-ylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]-N-(2-methoxyphenyl)acetamide

2-[(2E,5R)-2-[(Z)-3,4-dihydro-2H-naphthalen-1-ylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]-N-(2-methoxyphenyl)acetamide (PubChem CID 135572131) has the molecular formula C22H22N4O3S and a molecular weight of 422.51 g/mol. Its IUPAC name is 2-[(2E,5R)-2-[(Z)-3,4-dihydro-2H-naphthalen-1-ylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]-N-(2-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[(2E,5R)-2-[(Z)-3,4-dihydro-2H-naphthalen-1-ylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]-N-(2-methoxyphenyl)acetamide
PubChem CID135572131
Molecular FormulaC22H22N4O3S
Molecular Weight422.51 g/mol
Exact Mass422.14
IUPAC Name2-[(2E,5R)-2-[(Z)-3,4-dihydro-2H-naphthalen-1-ylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]-N-(2-methoxyphenyl)acetamide
SMILESCOc1ccccc1NC(=O)C[C@H]1S/C(=N/N=C2/CCCc3ccccc32)NC1=O
InChIInChI=1S/C22H22N4O3S/c1-29-18-12-5-4-10-17(18)23-20(27)13-19-21(28)24-22(30-19)26-25-16-11-6-8-14-7-2-3-9-15(14)16/h2-5,7,9-10,12,19H,6,8,11,13H2,1H3,(H,23,27)(H,24,26,28)/b25-16-/t19-/m1/s1
InChIKeyAGVWNLBHZFOXNP-UFAQQFSPSA-N
XLogP3.35
TPSA92.15 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.51
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

2-[(2Z)-2-[(E)-3,4-dihydro-2H-naphthalen-1-ylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]-N-(2,3-dimethylphenyl)acetamide
CID 135422560
2-[2-[(E)-3,4-dihydro-2H-naphthalen-1-ylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 172919886
2-[(2Z)-2-[(E)-3,4-dihydro-2H-naphthalen-1-ylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]-N-(4-methylphenyl)acetamide
CID 135998691
N-(2-methoxyphenyl)-2-[(5R)-2-methylimino-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 135691840
N-(3-chloro-4-methylphenyl)-2-[(2Z)-2-(3,4-dihydro-2H-naphthalen-1-ylidenehydrazinylidene)-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 135834241
2-[2-(3,4-dihydro-2H-naphthalen-1-ylidenehydrazinylidene)-4-oxo-1,3-thiazolidin-5-yl]-N-octylacetamide
CID 136914396
2-[(5S)-2-tert-butylimino-4-oxo-1,3-thiazolidin-5-yl]-N-(2-methoxyphenyl)acetamide
CID 135691940
N-(2-methoxyphenyl)-2-[(2E,5S)-4-oxo-2-[(Z)-1-phenylethylidenehydrazinylidene]-1,3-thiazolidin-5-yl]acetamide
CID 135779978
N-(2-methoxyphenyl)-2-[4-oxo-2-(1-phenylethylidenehydrazinylidene)-1,3-thiazolidin-5-yl]acetamide
CID 135527947
2-[(5R)-2-(3,3-dimethylbutan-2-ylidenehydrazinylidene)-4-oxo-1,3-thiazolidin-5-yl]-N-(2-methoxyphenyl)acetamide
CID 137231455
N-(4-bromophenyl)-2-[(2Z)-2-[(6-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)hydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 135706525
N-(2-methoxyphenyl)-2-[(2E,5S)-2-[(Z)-(4-methoxyphenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 135852754

Frequently Asked Questions

What is the IUPAC name of 2-[(2E,5R)-2-[(Z)-3,4-dihydro-2H-naphthalen-1-ylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]-N-(2-methoxyphenyl)acetamide?
The IUPAC name of 2-[(2E,5R)-2-[(Z)-3,4-dihydro-2H-naphthalen-1-ylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]-N-(2-methoxyphenyl)acetamide (CID 135572131) is 2-[(2E,5R)-2-[(Z)-3,4-dihydro-2H-naphthalen-1-ylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]-N-(2-methoxyphenyl)acetamide.
What is the SMILES notation for 2-[(2E,5R)-2-[(Z)-3,4-dihydro-2H-naphthalen-1-ylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]-N-(2-methoxyphenyl)acetamide?
The canonical SMILES for 2-[(2E,5R)-2-[(Z)-3,4-dihydro-2H-naphthalen-1-ylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]-N-(2-methoxyphenyl)acetamide is COc1ccccc1NC(=O)C[C@H]1S/C(=N/N=C2/CCCc3ccccc32)NC1=O.
What is the InChIKey of 2-[(2E,5R)-2-[(Z)-3,4-dihydro-2H-naphthalen-1-ylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]-N-(2-methoxyphenyl)acetamide?
The InChIKey is AGVWNLBHZFOXNP-UFAQQFSPSA-N. The full InChI is InChI=1S/C22H22N4O3S/c1-29-18-12-5-4-10-17(18)23-20(27)13-19-21(28)24-22(30-19)26-25-16-11-6-8-14-7-2-3-9-15(14)16/h2-5,7,9-10,12,19H,6,8,11,13H2,1H3,(H,23,27)(H,24,26,28)/b25-16-/t19-/m1/s1.
What are the key properties of 2-[(2E,5R)-2-[(Z)-3,4-dihydro-2H-naphthalen-1-ylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]-N-(2-methoxyphenyl)acetamide?
2-[(2E,5R)-2-[(Z)-3,4-dihydro-2H-naphthalen-1-ylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]-N-(2-methoxyphenyl)acetamide has a molecular weight of 422.51 g/mol, XLogP of 3.35, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2E,5R)-2-[(Z)-3,4-dihydro-2H-naphthalen-1-ylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]-N-(2-methoxyphenyl)acetamide is sourced from PubChem (CID 135572131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).