2-[2-(2-bicyclo[2.2.1]hept-5-enylimino)-4-oxo-1,3-thiazolidin-5-yl]-N-(4-chlorophenyl)acetamide

C18H18ClN3O2S — CID 135488862

IUPAC2-[2-(2-bicyclo[2.2.1]hept-5-enylimino)-4-oxo-1,3-thiazolidin-5-yl]-N-(4-chlorophenyl)acetamide
SMILESO=C(CC1S/C(=N/C2CC3C=CC2C3)NC1=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C18H18ClN3O2S/c19-12-3-5-13(6-4-12)20-16(23)9-15-17(24)22-18(25-15)21-14-8-10-1-2-11(14)7-10/h1-6,10-11,14-15H,7-9H2,(H,20,23)(H,21,22,24)
InChIKeyMGGIDKFASFZARY-UHFFFAOYSA-N
MW375.88 g/mol
LogP3.22
Rot. Bonds4

About 2-[2-(2-bicyclo[2.2.1]hept-5-enylimino)-4-oxo-1,3-thiazolidin-5-yl]-N-(4-chlorophenyl)acetamide

2-[2-(2-bicyclo[2.2.1]hept-5-enylimino)-4-oxo-1,3-thiazolidin-5-yl]-N-(4-chlorophenyl)acetamide (PubChem CID 135488862) has the molecular formula C18H18ClN3O2S and a molecular weight of 375.88 g/mol. Its IUPAC name is 2-[2-(2-bicyclo[2.2.1]hept-5-enylimino)-4-oxo-1,3-thiazolidin-5-yl]-N-(4-chlorophenyl)acetamide.

Molecular Properties

Compound Name2-[2-(2-bicyclo[2.2.1]hept-5-enylimino)-4-oxo-1,3-thiazolidin-5-yl]-N-(4-chlorophenyl)acetamide
PubChem CID135488862
Molecular FormulaC18H18ClN3O2S
Molecular Weight375.88 g/mol
Exact Mass375.08
IUPAC Name2-[2-(2-bicyclo[2.2.1]hept-5-enylimino)-4-oxo-1,3-thiazolidin-5-yl]-N-(4-chlorophenyl)acetamide
SMILESO=C(CC1S/C(=N/C2CC3C=CC2C3)NC1=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C18H18ClN3O2S/c19-12-3-5-13(6-4-12)20-16(23)9-15-17(24)22-18(25-15)21-14-8-10-1-2-11(14)7-10/h1-6,10-11,14-15H,7-9H2,(H,20,23)(H,21,22,24)
InChIKeyMGGIDKFASFZARY-UHFFFAOYSA-N
XLogP3.22
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.88
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[2-(2-bicyclo[2.2.1]hept-5-enylimino)-4-oxo-1,3-thiazolidin-5-yl]-N-(4-chlorophenyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-bicyclo[2.2.1]hept-5-enylimino)-4-oxo-1,3-thiazolidin-5-yl]-N-(4-chlorophenyl)acetamide?
The IUPAC name of 2-[2-(2-bicyclo[2.2.1]hept-5-enylimino)-4-oxo-1,3-thiazolidin-5-yl]-N-(4-chlorophenyl)acetamide (CID 135488862) is 2-[2-(2-bicyclo[2.2.1]hept-5-enylimino)-4-oxo-1,3-thiazolidin-5-yl]-N-(4-chlorophenyl)acetamide.
What is the SMILES notation for 2-[2-(2-bicyclo[2.2.1]hept-5-enylimino)-4-oxo-1,3-thiazolidin-5-yl]-N-(4-chlorophenyl)acetamide?
The canonical SMILES for 2-[2-(2-bicyclo[2.2.1]hept-5-enylimino)-4-oxo-1,3-thiazolidin-5-yl]-N-(4-chlorophenyl)acetamide is O=C(CC1S/C(=N/C2CC3C=CC2C3)NC1=O)Nc1ccc(Cl)cc1.
What is the InChIKey of 2-[2-(2-bicyclo[2.2.1]hept-5-enylimino)-4-oxo-1,3-thiazolidin-5-yl]-N-(4-chlorophenyl)acetamide?
The InChIKey is MGGIDKFASFZARY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN3O2S/c19-12-3-5-13(6-4-12)20-16(23)9-15-17(24)22-18(25-15)21-14-8-10-1-2-11(14)7-10/h1-6,10-11,14-15H,7-9H2,(H,20,23)(H,21,22,24).
What are the key properties of 2-[2-(2-bicyclo[2.2.1]hept-5-enylimino)-4-oxo-1,3-thiazolidin-5-yl]-N-(4-chlorophenyl)acetamide?
2-[2-(2-bicyclo[2.2.1]hept-5-enylimino)-4-oxo-1,3-thiazolidin-5-yl]-N-(4-chlorophenyl)acetamide has a molecular weight of 375.88 g/mol, XLogP of 3.22, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-bicyclo[2.2.1]hept-5-enylimino)-4-oxo-1,3-thiazolidin-5-yl]-N-(4-chlorophenyl)acetamide is sourced from PubChem (CID 135488862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).