N-(2-methylphenyl)-2-[(2Z,5S)-4-oxo-2-[(Z)-(2-oxo-1,3-thiazolidin-4-ylidene)hydrazinylidene]-1,3-thiazolidin-5-yl]acetamide

C15H15N5O3S2 — CID 136820373

IUPACN-(2-methylphenyl)-2-[(2Z,5S)-4-oxo-2-[(Z)-(2-oxo-1,3-thiazolidin-4-ylidene)hydrazinylidene]-1,3-thiazolidin-5-yl]acetamide
SMILESCc1ccccc1NC(=O)C[C@@H]1S/C(=N\N=C2\CSC(=O)N2)NC1=O
InChIInChI=1S/C15H15N5O3S2/c1-8-4-2-3-5-9(8)16-12(21)6-10-13(22)18-14(25-10)20-19-11-7-24-15(23)17-11/h2-5,10H,6-7H2,1H3,(H,16,21)(H,17,19,23)(H,18,20,22)/t10-/m0/s1
InChIKeyWWLJPGQEXIHACP-JTQLQIEISA-N
MW377.45 g/mol
LogP1.68
Rot. Bonds4

About N-(2-methylphenyl)-2-[(2Z,5S)-4-oxo-2-[(Z)-(2-oxo-1,3-thiazolidin-4-ylidene)hydrazinylidene]-1,3-thiazolidin-5-yl]acetamide

N-(2-methylphenyl)-2-[(2Z,5S)-4-oxo-2-[(Z)-(2-oxo-1,3-thiazolidin-4-ylidene)hydrazinylidene]-1,3-thiazolidin-5-yl]acetamide (PubChem CID 136820373) has the molecular formula C15H15N5O3S2 and a molecular weight of 377.45 g/mol. Its IUPAC name is N-(2-methylphenyl)-2-[(2Z,5S)-4-oxo-2-[(Z)-(2-oxo-1,3-thiazolidin-4-ylidene)hydrazinylidene]-1,3-thiazolidin-5-yl]acetamide.

Molecular Properties

Compound NameN-(2-methylphenyl)-2-[(2Z,5S)-4-oxo-2-[(Z)-(2-oxo-1,3-thiazolidin-4-ylidene)hydrazinylidene]-1,3-thiazolidin-5-yl]acetamide
PubChem CID136820373
Molecular FormulaC15H15N5O3S2
Molecular Weight377.45 g/mol
Exact Mass377.06
IUPAC NameN-(2-methylphenyl)-2-[(2Z,5S)-4-oxo-2-[(Z)-(2-oxo-1,3-thiazolidin-4-ylidene)hydrazinylidene]-1,3-thiazolidin-5-yl]acetamide
SMILESCc1ccccc1NC(=O)C[C@@H]1S/C(=N\N=C2\CSC(=O)N2)NC1=O
InChIInChI=1S/C15H15N5O3S2/c1-8-4-2-3-5-9(8)16-12(21)6-10-13(22)18-14(25-10)20-19-11-7-24-15(23)17-11/h2-5,10H,6-7H2,1H3,(H,16,21)(H,17,19,23)(H,18,20,22)/t10-/m0/s1
InChIKeyWWLJPGQEXIHACP-JTQLQIEISA-N
XLogP1.68
TPSA112.02 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.45
LogP ≤ 51.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'thioester', 'substructure': 'N/A'}

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Related Compounds

2-[2-(cycloheptylidenehydrazinylidene)-4-oxo-1,3-thiazolidin-5-yl]-N-(2-methylphenyl)acetamide
CID 135521245
2-[(5R)-2-(2,6-dimethylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(2-methylphenyl)acetamide
CID 135692169
2-[(5S)-2-(2,6-dimethylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(2-methylphenyl)acetamide
CID 135692170
N-(2-methylphenyl)-2-[(2E,5R)-4-oxo-2-(phenylhydrazinylidene)-1,3-thiazolidin-5-yl]acetamide
CID 135618436
2-[(2E)-2-[(E)-(4-chlorophenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]-N-(2-methylphenyl)acetamide
CID 135563440
2-[(2E,5S)-4-oxo-2-[(E)-(2-oxo-1,3-thiazolidin-4-ylidene)hydrazinylidene]-1,3-thiazolidin-5-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 135924867
2-[(2E)-4-oxo-2-[(E)-(2-oxo-1,3-thiazolidin-4-ylidene)hydrazinylidene]-1,3-thiazolidin-5-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 135881394
N-(2-methylphenyl)-2-[(2E,5S)-4-oxo-2-[(Z)-[(E)-3-phenylprop-2-enylidene]hydrazinylidene]-1,3-thiazolidin-5-yl]acetamide
CID 135852298
2-[(5S)-2-(3-methylbutylimino)-4-oxo-1,3-thiazolidin-5-yl]-N-(2-methylphenyl)acetamide
CID 135691768
2-[(2E)-2-[(E)-(5-methylfuran-2-yl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]-N-(2-methylphenyl)acetamide
CID 135599505
2-[2-(2-methoxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(2-methylphenyl)acetamide
CID 135537406
N-(2,3-dimethylphenyl)-2-[(2E,5R)-4-oxo-2-[(Z)-1-phenylethylidenehydrazinylidene]-1,3-thiazolidin-5-yl]acetamide
CID 135828395

Frequently Asked Questions

What is the IUPAC name of N-(2-methylphenyl)-2-[(2Z,5S)-4-oxo-2-[(Z)-(2-oxo-1,3-thiazolidin-4-ylidene)hydrazinylidene]-1,3-thiazolidin-5-yl]acetamide?
The IUPAC name of N-(2-methylphenyl)-2-[(2Z,5S)-4-oxo-2-[(Z)-(2-oxo-1,3-thiazolidin-4-ylidene)hydrazinylidene]-1,3-thiazolidin-5-yl]acetamide (CID 136820373) is N-(2-methylphenyl)-2-[(2Z,5S)-4-oxo-2-[(Z)-(2-oxo-1,3-thiazolidin-4-ylidene)hydrazinylidene]-1,3-thiazolidin-5-yl]acetamide.
What is the SMILES notation for N-(2-methylphenyl)-2-[(2Z,5S)-4-oxo-2-[(Z)-(2-oxo-1,3-thiazolidin-4-ylidene)hydrazinylidene]-1,3-thiazolidin-5-yl]acetamide?
The canonical SMILES for N-(2-methylphenyl)-2-[(2Z,5S)-4-oxo-2-[(Z)-(2-oxo-1,3-thiazolidin-4-ylidene)hydrazinylidene]-1,3-thiazolidin-5-yl]acetamide is Cc1ccccc1NC(=O)C[C@@H]1S/C(=N\N=C2\CSC(=O)N2)NC1=O.
What is the InChIKey of N-(2-methylphenyl)-2-[(2Z,5S)-4-oxo-2-[(Z)-(2-oxo-1,3-thiazolidin-4-ylidene)hydrazinylidene]-1,3-thiazolidin-5-yl]acetamide?
The InChIKey is WWLJPGQEXIHACP-JTQLQIEISA-N. The full InChI is InChI=1S/C15H15N5O3S2/c1-8-4-2-3-5-9(8)16-12(21)6-10-13(22)18-14(25-10)20-19-11-7-24-15(23)17-11/h2-5,10H,6-7H2,1H3,(H,16,21)(H,17,19,23)(H,18,20,22)/t10-/m0/s1.
What are the key properties of N-(2-methylphenyl)-2-[(2Z,5S)-4-oxo-2-[(Z)-(2-oxo-1,3-thiazolidin-4-ylidene)hydrazinylidene]-1,3-thiazolidin-5-yl]acetamide?
N-(2-methylphenyl)-2-[(2Z,5S)-4-oxo-2-[(Z)-(2-oxo-1,3-thiazolidin-4-ylidene)hydrazinylidene]-1,3-thiazolidin-5-yl]acetamide has a molecular weight of 377.45 g/mol, XLogP of 1.68, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylphenyl)-2-[(2Z,5S)-4-oxo-2-[(Z)-(2-oxo-1,3-thiazolidin-4-ylidene)hydrazinylidene]-1,3-thiazolidin-5-yl]acetamide is sourced from PubChem (CID 136820373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).