5-oxo-1-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-N-[2-(1H-pyrazol-5-yl)ethyl]pyrrolidine-3-carboxamide

C15H20N6O2S — CID 155499154

About 5-oxo-1-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-N-[2-(1H-pyrazol-5-yl)ethyl]pyrrolidine-3-carboxamide

5-oxo-1-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-N-[2-(1H-pyrazol-5-yl)ethyl]pyrrolidine-3-carboxamide (PubChem CID 155499154) has the molecular formula C15H20N6O2S and a molecular weight of 348.43 g/mol. Its IUPAC name is 5-oxo-1-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-N-[2-(1H-pyrazol-5-yl)ethyl]pyrrolidine-3-carboxamide.

Molecular Properties

• Compound Name: 5-oxo-1-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-N-[2-(1H-pyrazol-5-yl)ethyl]pyrrolidine-3-carboxamide
• PubChem CID: 155499154
• Molecular Formula: C15H20N6O2S
• Molecular Weight: 348.43 g/mol
• Exact Mass: 348.14
• IUPAC Name: 5-oxo-1-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-N-[2-(1H-pyrazol-5-yl)ethyl]pyrrolidine-3-carboxamide
• SMILES: CC(C)c1nnc(N2CC(C(=O)NCCc3ccn[nH]3)CC2=O)s1
• InChI: InChI=1S/C15H20N6O2S/c1-9(2)14-19-20-15(24-14)21-8-10(7-12(21)22)13(23)16-5-3-11-4-6-17-18-11/h4,6,9-10H,3,5,7-8H2,1-2H3,(H,16,23)(H,17,18)
• InChIKey: FSKOIRIDIHLZTE-UHFFFAOYSA-N
• XLogP: 1.10
• TPSA: 103.87 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	348.43
LogP ≤ 5	1.10
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 5-oxo-1-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-N-[2-(1H-pyrazol-5-yl)ethyl]pyrrolidine-3-carboxamide (CID 155499154) is 5-oxo-1-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-N-[2-(1H-pyrazol-5-yl)ethyl]pyrrolidine-3-carboxamide.

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

The canonical SMILES for 5-oxo-1-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-N-[2-(1H-pyrazol-5-yl)ethyl]pyrrolidine-3-carboxamide is CC(C)c1nnc(N2CC(C(=O)NCCc3ccn[nH]3)CC2=O)s1.

What is the InChIKey of 5-oxo-1-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-N-[2-(1H-pyrazol-5-yl)ethyl]pyrrolidine-3-carboxamide?

The InChIKey is FSKOIRIDIHLZTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N6O2S/c1-9(2)14-19-20-15(24-14)21-8-10(7-12(21)22)13(23)16-5-3-11-4-6-17-18-11/h4,6,9-10H,3,5,7-8H2,1-2H3,(H,16,23)(H,17,18).

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

5-oxo-1-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-N-[2-(1H-pyrazol-5-yl)ethyl]pyrrolidine-3-carboxamide has a molecular weight of 348.43 g/mol, XLogP of 1.10, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-oxo-1-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-N-[2-(1H-pyrazol-5-yl)ethyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 155499154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).