N-(3-methylbutyl)-1-(5-pyrrolidin-1-yl-1,3,4-thiadiazol-2-yl)pyrrole-2-carboxamide

C16H23N5OS — CID 20936990

About N-(3-methylbutyl)-1-(5-pyrrolidin-1-yl-1,3,4-thiadiazol-2-yl)pyrrole-2-carboxamide

N-(3-methylbutyl)-1-(5-pyrrolidin-1-yl-1,3,4-thiadiazol-2-yl)pyrrole-2-carboxamide (PubChem CID 20936990) has the molecular formula C16H23N5OS and a molecular weight of 333.46 g/mol. Its IUPAC name is N-(3-methylbutyl)-1-(5-pyrrolidin-1-yl-1,3,4-thiadiazol-2-yl)pyrrole-2-carboxamide.

Molecular Properties

• Compound Name: N-(3-methylbutyl)-1-(5-pyrrolidin-1-yl-1,3,4-thiadiazol-2-yl)pyrrole-2-carboxamide
• PubChem CID: 20936990
• Molecular Formula: C16H23N5OS
• Molecular Weight: 333.46 g/mol
• Exact Mass: 333.16
• IUPAC Name: N-(3-methylbutyl)-1-(5-pyrrolidin-1-yl-1,3,4-thiadiazol-2-yl)pyrrole-2-carboxamide
• SMILES: CC(C)CCNC(=O)c1cccn1-c1nnc(N2CCCC2)s1
• InChI: InChI=1S/C16H23N5OS/c1-12(2)7-8-17-14(22)13-6-5-11-21(13)16-19-18-15(23-16)20-9-3-4-10-20/h5-6,11-12H,3-4,7-10H2,1-2H3,(H,17,22)
• InChIKey: GASDOSGILKKPMQ-UHFFFAOYSA-N
• XLogP: 2.70
• TPSA: 63.05 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	333.46
LogP ≤ 5	2.70
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-(3-methylbutyl)-1-(5-pyrrolidin-1-yl-1,3,4-thiadiazol-2-yl)pyrrole-2-carboxamide?

The IUPAC name of N-(3-methylbutyl)-1-(5-pyrrolidin-1-yl-1,3,4-thiadiazol-2-yl)pyrrole-2-carboxamide (CID 20936990) is N-(3-methylbutyl)-1-(5-pyrrolidin-1-yl-1,3,4-thiadiazol-2-yl)pyrrole-2-carboxamide.

What is the SMILES notation for N-(3-methylbutyl)-1-(5-pyrrolidin-1-yl-1,3,4-thiadiazol-2-yl)pyrrole-2-carboxamide?

The canonical SMILES for N-(3-methylbutyl)-1-(5-pyrrolidin-1-yl-1,3,4-thiadiazol-2-yl)pyrrole-2-carboxamide is CC(C)CCNC(=O)c1cccn1-c1nnc(N2CCCC2)s1.

What is the InChIKey of N-(3-methylbutyl)-1-(5-pyrrolidin-1-yl-1,3,4-thiadiazol-2-yl)pyrrole-2-carboxamide?

The InChIKey is GASDOSGILKKPMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5OS/c1-12(2)7-8-17-14(22)13-6-5-11-21(13)16-19-18-15(23-16)20-9-3-4-10-20/h5-6,11-12H,3-4,7-10H2,1-2H3,(H,17,22).

What are the key properties of N-(3-methylbutyl)-1-(5-pyrrolidin-1-yl-1,3,4-thiadiazol-2-yl)pyrrole-2-carboxamide?

N-(3-methylbutyl)-1-(5-pyrrolidin-1-yl-1,3,4-thiadiazol-2-yl)pyrrole-2-carboxamide has a molecular weight of 333.46 g/mol, XLogP of 2.70, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3-methylbutyl)-1-(5-pyrrolidin-1-yl-1,3,4-thiadiazol-2-yl)pyrrole-2-carboxamide is sourced from PubChem (CID 20936990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).