7-propyl-2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methylamino]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one

C16H22F3N5OS — CID 133486724

About 7-propyl-2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methylamino]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one

7-propyl-2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methylamino]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one (PubChem CID 133486724) has the molecular formula C16H22F3N5OS and a molecular weight of 389.45 g/mol. Its IUPAC name is 7-propyl-2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methylamino]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

• Compound Name: 7-propyl-2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methylamino]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
• PubChem CID: 133486724
• Molecular Formula: C16H22F3N5OS
• Molecular Weight: 389.45 g/mol
• Exact Mass: 389.15
• IUPAC Name: 7-propyl-2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methylamino]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
• SMILES: CCCc1cc(=O)n2nc(NCC3CCN(CC(F)(F)F)CC3)sc2n1
• InChI: InChI=1S/C16H22F3N5OS/c1-2-3-12-8-13(25)24-15(21-12)26-14(22-24)20-9-11-4-6-23(7-5-11)10-16(17,18)19/h8,11H,2-7,9-10H2,1H3,(H,20,22)
• InChIKey: GQLKXFISQSHZON-UHFFFAOYSA-N
• XLogP: 2.79
• TPSA: 62.53 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	389.45
LogP ≤ 5	2.79
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 7-propyl-2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methylamino]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one (CID 133486724) is 7-propyl-2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methylamino]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one.

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

The canonical SMILES for 7-propyl-2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methylamino]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one is CCCc1cc(=O)n2nc(NCC3CCN(CC(F)(F)F)CC3)sc2n1.

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

The InChIKey is GQLKXFISQSHZON-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F3N5OS/c1-2-3-12-8-13(25)24-15(21-12)26-14(22-24)20-9-11-4-6-23(7-5-11)10-16(17,18)19/h8,11H,2-7,9-10H2,1H3,(H,20,22).

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

7-propyl-2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methylamino]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 389.45 g/mol, XLogP of 2.79, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 7-propyl-2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methylamino]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 133486724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).