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

C20H21N5O2S — CID 3237897

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

2-[3-(2,3-dihydroindole-1-carbonyl)piperidin-1-yl]-7-methyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one (PubChem CID 3237897) has the molecular formula C20H21N5O2S and a molecular weight of 395.49 g/mol. Its IUPAC name is 2-[3-(2,3-dihydroindole-1-carbonyl)piperidin-1-yl]-7-methyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

• Compound Name: 2-[3-(2,3-dihydroindole-1-carbonyl)piperidin-1-yl]-7-methyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
• PubChem CID: 3237897
• Molecular Formula: C20H21N5O2S
• Molecular Weight: 395.49 g/mol
• Exact Mass: 395.14
• IUPAC Name: 2-[3-(2,3-dihydroindole-1-carbonyl)piperidin-1-yl]-7-methyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
• SMILES: Cc1cc(=O)n2nc(N3CCCC(C(=O)N4CCc5ccccc54)C3)sc2n1
• InChI: InChI=1S/C20H21N5O2S/c1-13-11-17(26)25-19(21-13)28-20(22-25)23-9-4-6-15(12-23)18(27)24-10-8-14-5-2-3-7-16(14)24/h2-3,5,7,11,15H,4,6,8-10,12H2,1H3
• InChIKey: UIZQZJSQGGMPJK-UHFFFAOYSA-N
• XLogP: 2.27
• TPSA: 70.81 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 2
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	395.49
LogP ≤ 5	2.27
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 2-[3-(2,3-dihydroindole-1-carbonyl)piperidin-1-yl]-7-methyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one (CID 3237897) is 2-[3-(2,3-dihydroindole-1-carbonyl)piperidin-1-yl]-7-methyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one.

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

The canonical SMILES for 2-[3-(2,3-dihydroindole-1-carbonyl)piperidin-1-yl]-7-methyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one is Cc1cc(=O)n2nc(N3CCCC(C(=O)N4CCc5ccccc54)C3)sc2n1.

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

The InChIKey is UIZQZJSQGGMPJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O2S/c1-13-11-17(26)25-19(21-13)28-20(22-25)23-9-4-6-15(12-23)18(27)24-10-8-14-5-2-3-7-16(14)24/h2-3,5,7,11,15H,4,6,8-10,12H2,1H3.

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

2-[3-(2,3-dihydroindole-1-carbonyl)piperidin-1-yl]-7-methyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 395.49 g/mol, XLogP of 2.27, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-(2,3-dihydroindole-1-carbonyl)piperidin-1-yl]-7-methyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 3237897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).