2-[2-(4-chlorophenyl)imino-3-ethyl-4-oxo-1,3-thiazolidin-5-yl]-N-ethylacetamide

C15H18ClN3O2S — CID 3972953

IUPAC2-[2-(4-chlorophenyl)imino-3-ethyl-4-oxo-1,3-thiazolidin-5-yl]-N-ethylacetamide
SMILESCCNC(=O)CC1S/C(=N\c2ccc(Cl)cc2)N(CC)C1=O
InChIInChI=1S/C15H18ClN3O2S/c1-3-17-13(20)9-12-14(21)19(4-2)15(22-12)18-11-7-5-10(16)6-8-11/h5-8,12H,3-4,9H2,1-2H3,(H,17,20)/b18-15-
InChIKeySZPDIDVXMXQKPT-SDXDJHTJSA-N
MW339.85 g/mol
LogP2.82
Rot. Bonds5

About 2-[2-(4-chlorophenyl)imino-3-ethyl-4-oxo-1,3-thiazolidin-5-yl]-N-ethylacetamide

2-[2-(4-chlorophenyl)imino-3-ethyl-4-oxo-1,3-thiazolidin-5-yl]-N-ethylacetamide (PubChem CID 3972953) has the molecular formula C15H18ClN3O2S and a molecular weight of 339.85 g/mol. Its IUPAC name is 2-[2-(4-chlorophenyl)imino-3-ethyl-4-oxo-1,3-thiazolidin-5-yl]-N-ethylacetamide.

Molecular Properties

Compound Name2-[2-(4-chlorophenyl)imino-3-ethyl-4-oxo-1,3-thiazolidin-5-yl]-N-ethylacetamide
PubChem CID3972953
Molecular FormulaC15H18ClN3O2S
Molecular Weight339.85 g/mol
Exact Mass339.08
IUPAC Name2-[2-(4-chlorophenyl)imino-3-ethyl-4-oxo-1,3-thiazolidin-5-yl]-N-ethylacetamide
SMILESCCNC(=O)CC1S/C(=N\c2ccc(Cl)cc2)N(CC)C1=O
InChIInChI=1S/C15H18ClN3O2S/c1-3-17-13(20)9-12-14(21)19(4-2)15(22-12)18-11-7-5-10(16)6-8-11/h5-8,12H,3-4,9H2,1-2H3,(H,17,20)/b18-15-
InChIKeySZPDIDVXMXQKPT-SDXDJHTJSA-N
XLogP2.82
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.85
LogP ≤ 52.82
H-Bond Donors ≤ 51
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-(4-chlorophenyl)imino-3-ethyl-4-oxo-1,3-thiazolidin-5-yl]-N-ethylacetamide?
The IUPAC name of 2-[2-(4-chlorophenyl)imino-3-ethyl-4-oxo-1,3-thiazolidin-5-yl]-N-ethylacetamide (CID 3972953) is 2-[2-(4-chlorophenyl)imino-3-ethyl-4-oxo-1,3-thiazolidin-5-yl]-N-ethylacetamide.
What is the SMILES notation for 2-[2-(4-chlorophenyl)imino-3-ethyl-4-oxo-1,3-thiazolidin-5-yl]-N-ethylacetamide?
The canonical SMILES for 2-[2-(4-chlorophenyl)imino-3-ethyl-4-oxo-1,3-thiazolidin-5-yl]-N-ethylacetamide is CCNC(=O)CC1S/C(=N\c2ccc(Cl)cc2)N(CC)C1=O.
What is the InChIKey of 2-[2-(4-chlorophenyl)imino-3-ethyl-4-oxo-1,3-thiazolidin-5-yl]-N-ethylacetamide?
The InChIKey is SZPDIDVXMXQKPT-SDXDJHTJSA-N. The full InChI is InChI=1S/C15H18ClN3O2S/c1-3-17-13(20)9-12-14(21)19(4-2)15(22-12)18-11-7-5-10(16)6-8-11/h5-8,12H,3-4,9H2,1-2H3,(H,17,20)/b18-15-.
What are the key properties of 2-[2-(4-chlorophenyl)imino-3-ethyl-4-oxo-1,3-thiazolidin-5-yl]-N-ethylacetamide?
2-[2-(4-chlorophenyl)imino-3-ethyl-4-oxo-1,3-thiazolidin-5-yl]-N-ethylacetamide has a molecular weight of 339.85 g/mol, XLogP of 2.82, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-chlorophenyl)imino-3-ethyl-4-oxo-1,3-thiazolidin-5-yl]-N-ethylacetamide is sourced from PubChem (CID 3972953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).