N-[(Z)-(4-oxo-1,3-thiazolidin-2-ylidene)amino]-2-phenylacetamide

C11H11N3O2S — CID 135879102

IUPACN-[(Z)-(4-oxo-1,3-thiazolidin-2-ylidene)amino]-2-phenylacetamide
SMILESO=C(Cc1ccccc1)N/N=C1/NC(=O)CS1
InChIInChI=1S/C11H11N3O2S/c15-9(6-8-4-2-1-3-5-8)13-14-11-12-10(16)7-17-11/h1-5H,6-7H2,(H,13,15)(H,12,14,16)
InChIKeyOGHPASBSUKBNJK-UHFFFAOYSA-N
MW249.30 g/mol
LogP0.48
Rot. Bonds3

About N-[(Z)-(4-oxo-1,3-thiazolidin-2-ylidene)amino]-2-phenylacetamide

N-[(Z)-(4-oxo-1,3-thiazolidin-2-ylidene)amino]-2-phenylacetamide (PubChem CID 135879102) has the molecular formula C11H11N3O2S and a molecular weight of 249.30 g/mol. Its IUPAC name is N-[(Z)-(4-oxo-1,3-thiazolidin-2-ylidene)amino]-2-phenylacetamide.

Molecular Properties

Compound NameN-[(Z)-(4-oxo-1,3-thiazolidin-2-ylidene)amino]-2-phenylacetamide
PubChem CID135879102
Molecular FormulaC11H11N3O2S
Molecular Weight249.30 g/mol
Exact Mass249.06
IUPAC NameN-[(Z)-(4-oxo-1,3-thiazolidin-2-ylidene)amino]-2-phenylacetamide
SMILESO=C(Cc1ccccc1)N/N=C1/NC(=O)CS1
InChIInChI=1S/C11H11N3O2S/c15-9(6-8-4-2-1-3-5-8)13-14-11-12-10(16)7-17-11/h1-5H,6-7H2,(H,13,15)(H,12,14,16)
InChIKeyOGHPASBSUKBNJK-UHFFFAOYSA-N
XLogP0.48
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.30
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-[(Z)-(4-oxo-1,3-thiazolidin-2-ylidene)amino]-2-phenylacetamide?
The IUPAC name of N-[(Z)-(4-oxo-1,3-thiazolidin-2-ylidene)amino]-2-phenylacetamide (CID 135879102) is N-[(Z)-(4-oxo-1,3-thiazolidin-2-ylidene)amino]-2-phenylacetamide.
What is the SMILES notation for N-[(Z)-(4-oxo-1,3-thiazolidin-2-ylidene)amino]-2-phenylacetamide?
The canonical SMILES for N-[(Z)-(4-oxo-1,3-thiazolidin-2-ylidene)amino]-2-phenylacetamide is O=C(Cc1ccccc1)N/N=C1/NC(=O)CS1.
What is the InChIKey of N-[(Z)-(4-oxo-1,3-thiazolidin-2-ylidene)amino]-2-phenylacetamide?
The InChIKey is OGHPASBSUKBNJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O2S/c15-9(6-8-4-2-1-3-5-8)13-14-11-12-10(16)7-17-11/h1-5H,6-7H2,(H,13,15)(H,12,14,16).
What are the key properties of N-[(Z)-(4-oxo-1,3-thiazolidin-2-ylidene)amino]-2-phenylacetamide?
N-[(Z)-(4-oxo-1,3-thiazolidin-2-ylidene)amino]-2-phenylacetamide has a molecular weight of 249.30 g/mol, XLogP of 0.48, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(4-oxo-1,3-thiazolidin-2-ylidene)amino]-2-phenylacetamide is sourced from PubChem (CID 135879102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).