N-(3-methylbutyl)-1-(5-oxo-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)piperidine-4-carboxamide

C19H29N5O2S — CID 20893339

About N-(3-methylbutyl)-1-(5-oxo-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)piperidine-4-carboxamide

N-(3-methylbutyl)-1-(5-oxo-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)piperidine-4-carboxamide (PubChem CID 20893339) has the molecular formula C19H29N5O2S and a molecular weight of 391.54 g/mol. Its IUPAC name is N-(3-methylbutyl)-1-(5-oxo-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)piperidine-4-carboxamide.

Molecular Properties

• Compound Name: N-(3-methylbutyl)-1-(5-oxo-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)piperidine-4-carboxamide
• PubChem CID: 20893339
• Molecular Formula: C19H29N5O2S
• Molecular Weight: 391.54 g/mol
• Exact Mass: 391.20
• IUPAC Name: N-(3-methylbutyl)-1-(5-oxo-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)piperidine-4-carboxamide
• SMILES: CCCc1cc(=O)n2nc(N3CCC(C(=O)NCCC(C)C)CC3)sc2n1
• InChI: InChI=1S/C19H29N5O2S/c1-4-5-15-12-16(25)24-18(21-15)27-19(22-24)23-10-7-14(8-11-23)17(26)20-9-6-13(2)3/h12-14H,4-11H2,1-3H3,(H,20,26)
• InChIKey: FNLMDZLQXUUCPV-UHFFFAOYSA-N
• XLogP: 2.48
• TPSA: 79.60 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	391.54
LogP ≤ 5	2.48
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-(3-methylbutyl)-1-(5-oxo-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)piperidine-4-carboxamide?

The IUPAC name of N-(3-methylbutyl)-1-(5-oxo-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)piperidine-4-carboxamide (CID 20893339) is N-(3-methylbutyl)-1-(5-oxo-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)piperidine-4-carboxamide.

What is the SMILES notation for N-(3-methylbutyl)-1-(5-oxo-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)piperidine-4-carboxamide?

The canonical SMILES for N-(3-methylbutyl)-1-(5-oxo-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)piperidine-4-carboxamide is CCCc1cc(=O)n2nc(N3CCC(C(=O)NCCC(C)C)CC3)sc2n1.

What is the InChIKey of N-(3-methylbutyl)-1-(5-oxo-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)piperidine-4-carboxamide?

The InChIKey is FNLMDZLQXUUCPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N5O2S/c1-4-5-15-12-16(25)24-18(21-15)27-19(22-24)23-10-7-14(8-11-23)17(26)20-9-6-13(2)3/h12-14H,4-11H2,1-3H3,(H,20,26).

What are the key properties of N-(3-methylbutyl)-1-(5-oxo-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)piperidine-4-carboxamide?

N-(3-methylbutyl)-1-(5-oxo-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)piperidine-4-carboxamide has a molecular weight of 391.54 g/mol, XLogP of 2.48, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3-methylbutyl)-1-(5-oxo-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)piperidine-4-carboxamide is sourced from PubChem (CID 20893339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).