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

C17H25N5O2S — CID 20892957

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

N-(3-methylbutyl)-1-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)piperidine-4-carboxamide (PubChem CID 20892957) has the molecular formula C17H25N5O2S and a molecular weight of 363.49 g/mol. Its IUPAC name is N-(3-methylbutyl)-1-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)piperidine-4-carboxamide.

Molecular Properties

• Compound Name: N-(3-methylbutyl)-1-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)piperidine-4-carboxamide
• PubChem CID: 20892957
• Molecular Formula: C17H25N5O2S
• Molecular Weight: 363.49 g/mol
• Exact Mass: 363.17
• IUPAC Name: N-(3-methylbutyl)-1-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)piperidine-4-carboxamide
• SMILES: Cc1cc(=O)n2nc(N3CCC(C(=O)NCCC(C)C)CC3)sc2n1
• InChI: InChI=1S/C17H25N5O2S/c1-11(2)4-7-18-15(24)13-5-8-21(9-6-13)17-20-22-14(23)10-12(3)19-16(22)25-17/h10-11,13H,4-9H2,1-3H3,(H,18,24)
• InChIKey: UEFHTRUREZTTKE-UHFFFAOYSA-N
• XLogP: 1.84
• TPSA: 79.60 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	363.49
LogP ≤ 5	1.84
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of N-(3-methylbutyl)-1-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)piperidine-4-carboxamide (CID 20892957) is N-(3-methylbutyl)-1-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)piperidine-4-carboxamide.

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

The canonical SMILES for N-(3-methylbutyl)-1-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)piperidine-4-carboxamide is Cc1cc(=O)n2nc(N3CCC(C(=O)NCCC(C)C)CC3)sc2n1.

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

The InChIKey is UEFHTRUREZTTKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O2S/c1-11(2)4-7-18-15(24)13-5-8-21(9-6-13)17-20-22-14(23)10-12(3)19-16(22)25-17/h10-11,13H,4-9H2,1-3H3,(H,18,24).

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

N-(3-methylbutyl)-1-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)piperidine-4-carboxamide has a molecular weight of 363.49 g/mol, XLogP of 1.84, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3-methylbutyl)-1-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)piperidine-4-carboxamide is sourced from PubChem (CID 20892957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).