N-[2-(4-chlorophenyl)ethyl]-1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]pyrrolidine-2-carboxamide

C19H22ClN5O2S — CID 46271420

About N-[2-(4-chlorophenyl)ethyl]-1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]pyrrolidine-2-carboxamide

N-[2-(4-chlorophenyl)ethyl]-1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]pyrrolidine-2-carboxamide (PubChem CID 46271420) has the molecular formula C19H22ClN5O2S and a molecular weight of 419.94 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)ethyl]-1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]pyrrolidine-2-carboxamide.

Molecular Properties

• Compound Name: N-[2-(4-chlorophenyl)ethyl]-1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]pyrrolidine-2-carboxamide
• PubChem CID: 46271420
• Molecular Formula: C19H22ClN5O2S
• Molecular Weight: 419.94 g/mol
• Exact Mass: 419.12
• IUPAC Name: N-[2-(4-chlorophenyl)ethyl]-1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]pyrrolidine-2-carboxamide
• SMILES: O=C(NCCc1ccc(Cl)cc1)C1CCCN1c1nnc(N2CCCC2=O)s1
• InChI: InChI=1S/C19H22ClN5O2S/c20-14-7-5-13(6-8-14)9-10-21-17(27)15-3-1-11-24(15)18-22-23-19(28-18)25-12-2-4-16(25)26/h5-8,15H,1-4,9-12H2,(H,21,27)
• InChIKey: RSEUEHJLTHMIAK-UHFFFAOYSA-N
• XLogP: 2.65
• TPSA: 78.43 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	419.94
LogP ≤ 5	2.65
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)ethyl]-1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]pyrrolidine-2-carboxamide?

The IUPAC name of N-[2-(4-chlorophenyl)ethyl]-1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]pyrrolidine-2-carboxamide (CID 46271420) is N-[2-(4-chlorophenyl)ethyl]-1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]pyrrolidine-2-carboxamide.

What is the SMILES notation for N-[2-(4-chlorophenyl)ethyl]-1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]pyrrolidine-2-carboxamide?

The canonical SMILES for N-[2-(4-chlorophenyl)ethyl]-1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]pyrrolidine-2-carboxamide is O=C(NCCc1ccc(Cl)cc1)C1CCCN1c1nnc(N2CCCC2=O)s1.

What is the InChIKey of N-[2-(4-chlorophenyl)ethyl]-1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]pyrrolidine-2-carboxamide?

The InChIKey is RSEUEHJLTHMIAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN5O2S/c20-14-7-5-13(6-8-14)9-10-21-17(27)15-3-1-11-24(15)18-22-23-19(28-18)25-12-2-4-16(25)26/h5-8,15H,1-4,9-12H2,(H,21,27).

What are the key properties of N-[2-(4-chlorophenyl)ethyl]-1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]pyrrolidine-2-carboxamide?

N-[2-(4-chlorophenyl)ethyl]-1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]pyrrolidine-2-carboxamide has a molecular weight of 419.94 g/mol, XLogP of 2.65, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(4-chlorophenyl)ethyl]-1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 46271420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).