7-methyl-2-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one

C16H21N5O2S — CID 20892935

About 7-methyl-2-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one

7-methyl-2-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one (PubChem CID 20892935) has the molecular formula C16H21N5O2S and a molecular weight of 347.44 g/mol. Its IUPAC name is 7-methyl-2-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

• Compound Name: 7-methyl-2-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
• PubChem CID: 20892935
• Molecular Formula: C16H21N5O2S
• Molecular Weight: 347.44 g/mol
• Exact Mass: 347.14
• IUPAC Name: 7-methyl-2-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
• SMILES: Cc1cc(=O)n2nc(N3CCC(C(=O)N4CCCC4)CC3)sc2n1
• InChI: InChI=1S/C16H21N5O2S/c1-11-10-13(22)21-15(17-11)24-16(18-21)20-8-4-12(5-9-20)14(23)19-6-2-3-7-19/h10,12H,2-9H2,1H3
• InChIKey: LFNKWJXVDQWJPV-UHFFFAOYSA-N
• XLogP: 1.30
• TPSA: 70.81 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 2
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	347.44
LogP ≤ 5	1.30
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 7-methyl-2-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one?

The IUPAC name of 7-methyl-2-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one (CID 20892935) is 7-methyl-2-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one.

What is the SMILES notation for 7-methyl-2-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one?

The canonical SMILES for 7-methyl-2-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one is Cc1cc(=O)n2nc(N3CCC(C(=O)N4CCCC4)CC3)sc2n1.

What is the InChIKey of 7-methyl-2-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one?

The InChIKey is LFNKWJXVDQWJPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O2S/c1-11-10-13(22)21-15(17-11)24-16(18-21)20-8-4-12(5-9-20)14(23)19-6-2-3-7-19/h10,12H,2-9H2,1H3.

What are the key properties of 7-methyl-2-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one?

7-methyl-2-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 347.44 g/mol, XLogP of 1.30, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 7-methyl-2-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 20892935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).