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

C15H15N5O3S2 — CID 135439793

IUPACN-(4-methylphenyl)-2-[(2E)-4-oxo-2-[(Z)-(4-oxo-1,3-thiazolidin-2-ylidene)hydrazinylidene]-1,3-thiazolidin-5-yl]acetamide
SMILESCc1ccc(NC(=O)CC2S/C(=N/N=C3/NC(=O)CS3)NC2=O)cc1
InChIInChI=1S/C15H15N5O3S2/c1-8-2-4-9(5-3-8)16-11(21)6-10-13(23)18-15(25-10)20-19-14-17-12(22)7-24-14/h2-5,10H,6-7H2,1H3,(H,16,21)(H,17,19,22)(H,18,20,23)
InChIKeyPSIKZZGNDKKLEL-UHFFFAOYSA-N
MW377.45 g/mol
LogP1.05
Rot. Bonds4

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

N-(4-methylphenyl)-2-[(2E)-4-oxo-2-[(Z)-(4-oxo-1,3-thiazolidin-2-ylidene)hydrazinylidene]-1,3-thiazolidin-5-yl]acetamide (PubChem CID 135439793) has the molecular formula C15H15N5O3S2 and a molecular weight of 377.45 g/mol. Its IUPAC name is N-(4-methylphenyl)-2-[(2E)-4-oxo-2-[(Z)-(4-oxo-1,3-thiazolidin-2-ylidene)hydrazinylidene]-1,3-thiazolidin-5-yl]acetamide.

Molecular Properties

Compound NameN-(4-methylphenyl)-2-[(2E)-4-oxo-2-[(Z)-(4-oxo-1,3-thiazolidin-2-ylidene)hydrazinylidene]-1,3-thiazolidin-5-yl]acetamide
PubChem CID135439793
Molecular FormulaC15H15N5O3S2
Molecular Weight377.45 g/mol
Exact Mass377.06
IUPAC NameN-(4-methylphenyl)-2-[(2E)-4-oxo-2-[(Z)-(4-oxo-1,3-thiazolidin-2-ylidene)hydrazinylidene]-1,3-thiazolidin-5-yl]acetamide
SMILESCc1ccc(NC(=O)CC2S/C(=N/N=C3/NC(=O)CS3)NC2=O)cc1
InChIInChI=1S/C15H15N5O3S2/c1-8-2-4-9(5-3-8)16-11(21)6-10-13(23)18-15(25-10)20-19-14-17-12(22)7-24-14/h2-5,10H,6-7H2,1H3,(H,16,21)(H,17,19,22)(H,18,20,23)
InChIKeyPSIKZZGNDKKLEL-UHFFFAOYSA-N
XLogP1.05
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 ≤ 51.05
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'}

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Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-2-[(2E)-4-oxo-2-[(Z)-(4-oxo-1,3-thiazolidin-2-ylidene)hydrazinylidene]-1,3-thiazolidin-5-yl]acetamide?
The IUPAC name of N-(4-methylphenyl)-2-[(2E)-4-oxo-2-[(Z)-(4-oxo-1,3-thiazolidin-2-ylidene)hydrazinylidene]-1,3-thiazolidin-5-yl]acetamide (CID 135439793) is N-(4-methylphenyl)-2-[(2E)-4-oxo-2-[(Z)-(4-oxo-1,3-thiazolidin-2-ylidene)hydrazinylidene]-1,3-thiazolidin-5-yl]acetamide.
What is the SMILES notation for N-(4-methylphenyl)-2-[(2E)-4-oxo-2-[(Z)-(4-oxo-1,3-thiazolidin-2-ylidene)hydrazinylidene]-1,3-thiazolidin-5-yl]acetamide?
The canonical SMILES for N-(4-methylphenyl)-2-[(2E)-4-oxo-2-[(Z)-(4-oxo-1,3-thiazolidin-2-ylidene)hydrazinylidene]-1,3-thiazolidin-5-yl]acetamide is Cc1ccc(NC(=O)CC2S/C(=N/N=C3/NC(=O)CS3)NC2=O)cc1.
What is the InChIKey of N-(4-methylphenyl)-2-[(2E)-4-oxo-2-[(Z)-(4-oxo-1,3-thiazolidin-2-ylidene)hydrazinylidene]-1,3-thiazolidin-5-yl]acetamide?
The InChIKey is PSIKZZGNDKKLEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O3S2/c1-8-2-4-9(5-3-8)16-11(21)6-10-13(23)18-15(25-10)20-19-14-17-12(22)7-24-14/h2-5,10H,6-7H2,1H3,(H,16,21)(H,17,19,22)(H,18,20,23).
What are the key properties of N-(4-methylphenyl)-2-[(2E)-4-oxo-2-[(Z)-(4-oxo-1,3-thiazolidin-2-ylidene)hydrazinylidene]-1,3-thiazolidin-5-yl]acetamide?
N-(4-methylphenyl)-2-[(2E)-4-oxo-2-[(Z)-(4-oxo-1,3-thiazolidin-2-ylidene)hydrazinylidene]-1,3-thiazolidin-5-yl]acetamide has a molecular weight of 377.45 g/mol, XLogP of 1.05, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)-2-[(2E)-4-oxo-2-[(Z)-(4-oxo-1,3-thiazolidin-2-ylidene)hydrazinylidene]-1,3-thiazolidin-5-yl]acetamide is sourced from PubChem (CID 135439793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).