2-(2-butylimino-4-oxo-1,3-thiazolidin-5-yl)-N-(4-chlorophenyl)acetamide

C15H18ClN3O2S — CID 135501982

IUPAC2-(2-butylimino-4-oxo-1,3-thiazolidin-5-yl)-N-(4-chlorophenyl)acetamide
SMILESCCCC/N=C1\NC(=O)C(CC(=O)Nc2ccc(Cl)cc2)S1
InChIInChI=1S/C15H18ClN3O2S/c1-2-3-8-17-15-19-14(21)12(22-15)9-13(20)18-11-6-4-10(16)5-7-11/h4-7,12H,2-3,8-9H2,1H3,(H,18,20)(H,17,19,21)
InChIKeyCYGFGYXNJZTYIC-UHFFFAOYSA-N
MW339.85 g/mol
LogP3.06
Rot. Bonds6

About 2-(2-butylimino-4-oxo-1,3-thiazolidin-5-yl)-N-(4-chlorophenyl)acetamide

2-(2-butylimino-4-oxo-1,3-thiazolidin-5-yl)-N-(4-chlorophenyl)acetamide (PubChem CID 135501982) has the molecular formula C15H18ClN3O2S and a molecular weight of 339.85 g/mol. Its IUPAC name is 2-(2-butylimino-4-oxo-1,3-thiazolidin-5-yl)-N-(4-chlorophenyl)acetamide.

Molecular Properties

Compound Name2-(2-butylimino-4-oxo-1,3-thiazolidin-5-yl)-N-(4-chlorophenyl)acetamide
PubChem CID135501982
Molecular FormulaC15H18ClN3O2S
Molecular Weight339.85 g/mol
Exact Mass339.08
IUPAC Name2-(2-butylimino-4-oxo-1,3-thiazolidin-5-yl)-N-(4-chlorophenyl)acetamide
SMILESCCCC/N=C1\NC(=O)C(CC(=O)Nc2ccc(Cl)cc2)S1
InChIInChI=1S/C15H18ClN3O2S/c1-2-3-8-17-15-19-14(21)12(22-15)9-13(20)18-11-6-4-10(16)5-7-11/h4-7,12H,2-3,8-9H2,1H3,(H,18,20)(H,17,19,21)
InChIKeyCYGFGYXNJZTYIC-UHFFFAOYSA-N
XLogP3.06
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.85
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-butylimino-4-oxo-1,3-thiazolidin-5-yl)-N-(4-chlorophenyl)acetamide?
The IUPAC name of 2-(2-butylimino-4-oxo-1,3-thiazolidin-5-yl)-N-(4-chlorophenyl)acetamide (CID 135501982) is 2-(2-butylimino-4-oxo-1,3-thiazolidin-5-yl)-N-(4-chlorophenyl)acetamide.
What is the SMILES notation for 2-(2-butylimino-4-oxo-1,3-thiazolidin-5-yl)-N-(4-chlorophenyl)acetamide?
The canonical SMILES for 2-(2-butylimino-4-oxo-1,3-thiazolidin-5-yl)-N-(4-chlorophenyl)acetamide is CCCC/N=C1\NC(=O)C(CC(=O)Nc2ccc(Cl)cc2)S1.
What is the InChIKey of 2-(2-butylimino-4-oxo-1,3-thiazolidin-5-yl)-N-(4-chlorophenyl)acetamide?
The InChIKey is CYGFGYXNJZTYIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3O2S/c1-2-3-8-17-15-19-14(21)12(22-15)9-13(20)18-11-6-4-10(16)5-7-11/h4-7,12H,2-3,8-9H2,1H3,(H,18,20)(H,17,19,21).
What are the key properties of 2-(2-butylimino-4-oxo-1,3-thiazolidin-5-yl)-N-(4-chlorophenyl)acetamide?
2-(2-butylimino-4-oxo-1,3-thiazolidin-5-yl)-N-(4-chlorophenyl)acetamide has a molecular weight of 339.85 g/mol, XLogP of 3.06, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-butylimino-4-oxo-1,3-thiazolidin-5-yl)-N-(4-chlorophenyl)acetamide is sourced from PubChem (CID 135501982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).