1-[2-(5-methyl-1H-indol-3-yl)ethyl]-5-oxo-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide

C23H29N5O2S — CID 17204418

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

1-[2-(5-methyl-1H-indol-3-yl)ethyl]-5-oxo-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide (PubChem CID 17204418) has the molecular formula C23H29N5O2S and a molecular weight of 439.59 g/mol. Its IUPAC name is 1-[2-(5-methyl-1H-indol-3-yl)ethyl]-5-oxo-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide.

Molecular Properties

• Compound Name: 1-[2-(5-methyl-1H-indol-3-yl)ethyl]-5-oxo-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide
• PubChem CID: 17204418
• Molecular Formula: C23H29N5O2S
• Molecular Weight: 439.59 g/mol
• Exact Mass: 439.20
• IUPAC Name: 1-[2-(5-methyl-1H-indol-3-yl)ethyl]-5-oxo-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide
• SMILES: CCC(CC)c1nnc(NC(=O)C2CC(=O)N(CCc3c[nH]c4ccc(C)cc34)C2)s1
• InChI: InChI=1S/C23H29N5O2S/c1-4-15(5-2)22-26-27-23(31-22)25-21(30)17-11-20(29)28(13-17)9-8-16-12-24-19-7-6-14(3)10-18(16)19/h6-7,10,12,15,17,24H,4-5,8-9,11,13H2,1-3H3,(H,25,27,30)
• InChIKey: OFBBJGDUVQMPMV-UHFFFAOYSA-N
• XLogP: 4.26
• TPSA: 90.98 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	439.59
LogP ≤ 5	4.26
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 1-[2-(5-methyl-1H-indol-3-yl)ethyl]-5-oxo-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide (CID 17204418) is 1-[2-(5-methyl-1H-indol-3-yl)ethyl]-5-oxo-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide.

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

The canonical SMILES for 1-[2-(5-methyl-1H-indol-3-yl)ethyl]-5-oxo-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide is CCC(CC)c1nnc(NC(=O)C2CC(=O)N(CCc3c[nH]c4ccc(C)cc34)C2)s1.

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

The InChIKey is OFBBJGDUVQMPMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N5O2S/c1-4-15(5-2)22-26-27-23(31-22)25-21(30)17-11-20(29)28(13-17)9-8-16-12-24-19-7-6-14(3)10-18(16)19/h6-7,10,12,15,17,24H,4-5,8-9,11,13H2,1-3H3,(H,25,27,30).

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

1-[2-(5-methyl-1H-indol-3-yl)ethyl]-5-oxo-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide has a molecular weight of 439.59 g/mol, XLogP of 4.26, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-(5-methyl-1H-indol-3-yl)ethyl]-5-oxo-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 17204418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).