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

C15H21N5O2S — CID 6620243

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

1-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)-N-propan-2-ylpiperidine-4-carboxamide (PubChem CID 6620243) has the molecular formula C15H21N5O2S and a molecular weight of 335.43 g/mol. Its IUPAC name is 1-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)-N-propan-2-ylpiperidine-4-carboxamide.

Molecular Properties

• Compound Name: 1-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)-N-propan-2-ylpiperidine-4-carboxamide
• PubChem CID: 6620243
• Molecular Formula: C15H21N5O2S
• Molecular Weight: 335.43 g/mol
• Exact Mass: 335.14
• IUPAC Name: 1-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)-N-propan-2-ylpiperidine-4-carboxamide
• SMILES: Cc1cc(=O)n2nc(N3CCC(C(=O)NC(C)C)CC3)sc2n1
• InChI: InChI=1S/C15H21N5O2S/c1-9(2)16-13(22)11-4-6-19(7-5-11)15-18-20-12(21)8-10(3)17-14(20)23-15/h8-9,11H,4-7H2,1-3H3,(H,16,22)
• InChIKey: MEWGWRPKUOWZKK-UHFFFAOYSA-N
• XLogP: 1.20
• TPSA: 79.60 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 3
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	335.43
LogP ≤ 5	1.20
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 1-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)-N-propan-2-ylpiperidine-4-carboxamide (CID 6620243) is 1-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)-N-propan-2-ylpiperidine-4-carboxamide.

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

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

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

The InChIKey is MEWGWRPKUOWZKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O2S/c1-9(2)16-13(22)11-4-6-19(7-5-11)15-18-20-12(21)8-10(3)17-14(20)23-15/h8-9,11H,4-7H2,1-3H3,(H,16,22).

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

1-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)-N-propan-2-ylpiperidine-4-carboxamide has a molecular weight of 335.43 g/mol, XLogP of 1.20, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)-N-propan-2-ylpiperidine-4-carboxamide is sourced from PubChem (CID 6620243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).