2-(2-cyclohexylimino-4-oxo-1,3-thiazolidin-5-yl)-N-phenylacetamide

C17H21N3O2S — CID 135403874

IUPAC2-(2-cyclohexylimino-4-oxo-1,3-thiazolidin-5-yl)-N-phenylacetamide
SMILESO=C(CC1S/C(=N/C2CCCCC2)NC1=O)Nc1ccccc1
InChIInChI=1S/C17H21N3O2S/c21-15(18-12-7-3-1-4-8-12)11-14-16(22)20-17(23-14)19-13-9-5-2-6-10-13/h1,3-4,7-8,13-14H,2,5-6,9-11H2,(H,18,21)(H,19,20,22)
InChIKeyQYDCRUSYDXSPCH-UHFFFAOYSA-N
MW331.44 g/mol
LogP2.94
Rot. Bonds4

About 2-(2-cyclohexylimino-4-oxo-1,3-thiazolidin-5-yl)-N-phenylacetamide

2-(2-cyclohexylimino-4-oxo-1,3-thiazolidin-5-yl)-N-phenylacetamide (PubChem CID 135403874) has the molecular formula C17H21N3O2S and a molecular weight of 331.44 g/mol. Its IUPAC name is 2-(2-cyclohexylimino-4-oxo-1,3-thiazolidin-5-yl)-N-phenylacetamide.

Molecular Properties

Compound Name2-(2-cyclohexylimino-4-oxo-1,3-thiazolidin-5-yl)-N-phenylacetamide
PubChem CID135403874
Molecular FormulaC17H21N3O2S
Molecular Weight331.44 g/mol
Exact Mass331.14
IUPAC Name2-(2-cyclohexylimino-4-oxo-1,3-thiazolidin-5-yl)-N-phenylacetamide
SMILESO=C(CC1S/C(=N/C2CCCCC2)NC1=O)Nc1ccccc1
InChIInChI=1S/C17H21N3O2S/c21-15(18-12-7-3-1-4-8-12)11-14-16(22)20-17(23-14)19-13-9-5-2-6-10-13/h1,3-4,7-8,13-14H,2,5-6,9-11H2,(H,18,21)(H,19,20,22)
InChIKeyQYDCRUSYDXSPCH-UHFFFAOYSA-N
XLogP2.94
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.44
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclohexylimino-4-oxo-1,3-thiazolidin-5-yl)-N-phenylacetamide?
The IUPAC name of 2-(2-cyclohexylimino-4-oxo-1,3-thiazolidin-5-yl)-N-phenylacetamide (CID 135403874) is 2-(2-cyclohexylimino-4-oxo-1,3-thiazolidin-5-yl)-N-phenylacetamide.
What is the SMILES notation for 2-(2-cyclohexylimino-4-oxo-1,3-thiazolidin-5-yl)-N-phenylacetamide?
The canonical SMILES for 2-(2-cyclohexylimino-4-oxo-1,3-thiazolidin-5-yl)-N-phenylacetamide is O=C(CC1S/C(=N/C2CCCCC2)NC1=O)Nc1ccccc1.
What is the InChIKey of 2-(2-cyclohexylimino-4-oxo-1,3-thiazolidin-5-yl)-N-phenylacetamide?
The InChIKey is QYDCRUSYDXSPCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2S/c21-15(18-12-7-3-1-4-8-12)11-14-16(22)20-17(23-14)19-13-9-5-2-6-10-13/h1,3-4,7-8,13-14H,2,5-6,9-11H2,(H,18,21)(H,19,20,22).
What are the key properties of 2-(2-cyclohexylimino-4-oxo-1,3-thiazolidin-5-yl)-N-phenylacetamide?
2-(2-cyclohexylimino-4-oxo-1,3-thiazolidin-5-yl)-N-phenylacetamide has a molecular weight of 331.44 g/mol, XLogP of 2.94, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclohexylimino-4-oxo-1,3-thiazolidin-5-yl)-N-phenylacetamide is sourced from PubChem (CID 135403874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).