N-ethyl-2-[(2E)-4-oxo-2-[(E)-1-phenylethylidenehydrazinylidene]-1,3-thiazolidin-5-yl]acetamide

C15H18N4O2S — CID 135433186

IUPACN-ethyl-2-[(2E)-4-oxo-2-[(E)-1-phenylethylidenehydrazinylidene]-1,3-thiazolidin-5-yl]acetamide
SMILESCCNC(=O)CC1S/C(=N/N=C(\C)c2ccccc2)NC1=O
InChIInChI=1S/C15H18N4O2S/c1-3-16-13(20)9-12-14(21)17-15(22-12)19-18-10(2)11-7-5-4-6-8-11/h4-8,12H,3,9H2,1-2H3,(H,16,20)(H,17,19,21)/b18-10+
InChIKeyQLEUGULYDGUAQY-VCHYOVAHSA-N
MW318.40 g/mol
LogP1.52
Rot. Bonds5

About N-ethyl-2-[(2E)-4-oxo-2-[(E)-1-phenylethylidenehydrazinylidene]-1,3-thiazolidin-5-yl]acetamide

N-ethyl-2-[(2E)-4-oxo-2-[(E)-1-phenylethylidenehydrazinylidene]-1,3-thiazolidin-5-yl]acetamide (PubChem CID 135433186) has the molecular formula C15H18N4O2S and a molecular weight of 318.40 g/mol. Its IUPAC name is N-ethyl-2-[(2E)-4-oxo-2-[(E)-1-phenylethylidenehydrazinylidene]-1,3-thiazolidin-5-yl]acetamide.

Molecular Properties

Compound NameN-ethyl-2-[(2E)-4-oxo-2-[(E)-1-phenylethylidenehydrazinylidene]-1,3-thiazolidin-5-yl]acetamide
PubChem CID135433186
Molecular FormulaC15H18N4O2S
Molecular Weight318.40 g/mol
Exact Mass318.12
IUPAC NameN-ethyl-2-[(2E)-4-oxo-2-[(E)-1-phenylethylidenehydrazinylidene]-1,3-thiazolidin-5-yl]acetamide
SMILESCCNC(=O)CC1S/C(=N/N=C(\C)c2ccccc2)NC1=O
InChIInChI=1S/C15H18N4O2S/c1-3-16-13(20)9-12-14(21)17-15(22-12)19-18-10(2)11-7-5-4-6-8-11/h4-8,12H,3,9H2,1-2H3,(H,16,20)(H,17,19,21)/b18-10+
InChIKeyQLEUGULYDGUAQY-VCHYOVAHSA-N
XLogP1.52
TPSA82.92 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.40
LogP ≤ 51.52
H-Bond Donors ≤ 52
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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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[(2E)-4-oxo-2-[(E)-1-phenylethylidenehydrazinylidene]-1,3-thiazolidin-5-yl]acetamide?
The IUPAC name of N-ethyl-2-[(2E)-4-oxo-2-[(E)-1-phenylethylidenehydrazinylidene]-1,3-thiazolidin-5-yl]acetamide (CID 135433186) is N-ethyl-2-[(2E)-4-oxo-2-[(E)-1-phenylethylidenehydrazinylidene]-1,3-thiazolidin-5-yl]acetamide.
What is the SMILES notation for N-ethyl-2-[(2E)-4-oxo-2-[(E)-1-phenylethylidenehydrazinylidene]-1,3-thiazolidin-5-yl]acetamide?
The canonical SMILES for N-ethyl-2-[(2E)-4-oxo-2-[(E)-1-phenylethylidenehydrazinylidene]-1,3-thiazolidin-5-yl]acetamide is CCNC(=O)CC1S/C(=N/N=C(\C)c2ccccc2)NC1=O.
What is the InChIKey of N-ethyl-2-[(2E)-4-oxo-2-[(E)-1-phenylethylidenehydrazinylidene]-1,3-thiazolidin-5-yl]acetamide?
The InChIKey is QLEUGULYDGUAQY-VCHYOVAHSA-N. The full InChI is InChI=1S/C15H18N4O2S/c1-3-16-13(20)9-12-14(21)17-15(22-12)19-18-10(2)11-7-5-4-6-8-11/h4-8,12H,3,9H2,1-2H3,(H,16,20)(H,17,19,21)/b18-10+.
What are the key properties of N-ethyl-2-[(2E)-4-oxo-2-[(E)-1-phenylethylidenehydrazinylidene]-1,3-thiazolidin-5-yl]acetamide?
N-ethyl-2-[(2E)-4-oxo-2-[(E)-1-phenylethylidenehydrazinylidene]-1,3-thiazolidin-5-yl]acetamide has a molecular weight of 318.40 g/mol, XLogP of 1.52, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[(2E)-4-oxo-2-[(E)-1-phenylethylidenehydrazinylidene]-1,3-thiazolidin-5-yl]acetamide is sourced from PubChem (CID 135433186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).