2-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]-5-(trifluoromethyl)-1,3,4-thiadiazole

C15H15F3N6S — CID 91831606

About 2-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]-5-(trifluoromethyl)-1,3,4-thiadiazole

2-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]-5-(trifluoromethyl)-1,3,4-thiadiazole (PubChem CID 91831606) has the molecular formula C15H15F3N6S and a molecular weight of 368.39 g/mol. Its IUPAC name is 2-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]-5-(trifluoromethyl)-1,3,4-thiadiazole.

Molecular Properties

• Compound Name: 2-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]-5-(trifluoromethyl)-1,3,4-thiadiazole
• PubChem CID: 91831606
• Molecular Formula: C15H15F3N6S
• Molecular Weight: 368.39 g/mol
• Exact Mass: 368.10
• IUPAC Name: 2-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]-5-(trifluoromethyl)-1,3,4-thiadiazole
• SMILES: FC(F)(F)c1nnc(N2CCN(Cc3cn4ccccc4n3)CC2)s1
• InChI: InChI=1S/C15H15F3N6S/c16-15(17,18)13-20-21-14(25-13)23-7-5-22(6-8-23)9-11-10-24-4-2-1-3-12(24)19-11/h1-4,10H,5-9H2
• InChIKey: SJPXGADLMRTORS-UHFFFAOYSA-N
• XLogP: 2.53
• TPSA: 49.56 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 3
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	368.39
LogP ≤ 5	2.53
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]-5-(trifluoromethyl)-1,3,4-thiadiazole?

The IUPAC name of 2-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]-5-(trifluoromethyl)-1,3,4-thiadiazole (CID 91831606) is 2-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]-5-(trifluoromethyl)-1,3,4-thiadiazole.

What is the SMILES notation for 2-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]-5-(trifluoromethyl)-1,3,4-thiadiazole?

The canonical SMILES for 2-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]-5-(trifluoromethyl)-1,3,4-thiadiazole is FC(F)(F)c1nnc(N2CCN(Cc3cn4ccccc4n3)CC2)s1.

What is the InChIKey of 2-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]-5-(trifluoromethyl)-1,3,4-thiadiazole?

The InChIKey is SJPXGADLMRTORS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F3N6S/c16-15(17,18)13-20-21-14(25-13)23-7-5-22(6-8-23)9-11-10-24-4-2-1-3-12(24)19-11/h1-4,10H,5-9H2.

What are the key properties of 2-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]-5-(trifluoromethyl)-1,3,4-thiadiazole?

2-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]-5-(trifluoromethyl)-1,3,4-thiadiazole has a molecular weight of 368.39 g/mol, XLogP of 2.53, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]-5-(trifluoromethyl)-1,3,4-thiadiazole is sourced from PubChem (CID 91831606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).