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

C17H23N5O2S2 — CID 155499730

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

1-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-oxo-N-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]pyrrolidine-3-carboxamide (PubChem CID 155499730) has the molecular formula C17H23N5O2S2 and a molecular weight of 393.54 g/mol. Its IUPAC name is 1-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-oxo-N-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]pyrrolidine-3-carboxamide.

Molecular Properties

• Compound Name: 1-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-oxo-N-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]pyrrolidine-3-carboxamide
• PubChem CID: 155499730
• Molecular Formula: C17H23N5O2S2
• Molecular Weight: 393.54 g/mol
• Exact Mass: 393.13
• IUPAC Name: 1-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-oxo-N-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]pyrrolidine-3-carboxamide
• SMILES: CCc1nnc(N2CC(C(=O)NCCc3nc(C(C)C)cs3)CC2=O)s1
• InChI: InChI=1S/C17H23N5O2S2/c1-4-13-20-21-17(26-13)22-8-11(7-15(22)23)16(24)18-6-5-14-19-12(9-25-14)10(2)3/h9-11H,4-8H2,1-3H3,(H,18,24)
• InChIKey: UNXBVKLHNYREDM-UHFFFAOYSA-N
• XLogP: 2.39
• TPSA: 88.08 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	393.54
LogP ≤ 5	2.39
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 1-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-oxo-N-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]pyrrolidine-3-carboxamide (CID 155499730) is 1-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-oxo-N-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]pyrrolidine-3-carboxamide.

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

The canonical SMILES for 1-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-oxo-N-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]pyrrolidine-3-carboxamide is CCc1nnc(N2CC(C(=O)NCCc3nc(C(C)C)cs3)CC2=O)s1.

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

The InChIKey is UNXBVKLHNYREDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O2S2/c1-4-13-20-21-17(26-13)22-8-11(7-15(22)23)16(24)18-6-5-14-19-12(9-25-14)10(2)3/h9-11H,4-8H2,1-3H3,(H,18,24).

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

1-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-oxo-N-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]pyrrolidine-3-carboxamide has a molecular weight of 393.54 g/mol, XLogP of 2.39, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-oxo-N-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 155499730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).