6-(4-chlorophenyl)-2-[2-(6-methyl-2-pyridinyl)pyrrolidin-1-yl]imidazo[2,1-b][1,3,4]thiadiazole

C20H18ClN5S — CID 133494765

About 6-(4-chlorophenyl)-2-[2-(6-methyl-2-pyridinyl)pyrrolidin-1-yl]imidazo[2,1-b][1,3,4]thiadiazole

6-(4-chlorophenyl)-2-[2-(6-methyl-2-pyridinyl)pyrrolidin-1-yl]imidazo[2,1-b][1,3,4]thiadiazole (PubChem CID 133494765) has the molecular formula C20H18ClN5S and a molecular weight of 395.92 g/mol. Its IUPAC name is 6-(4-chlorophenyl)-2-[2-(6-methyl-2-pyridinyl)pyrrolidin-1-yl]imidazo[2,1-b][1,3,4]thiadiazole.

Molecular Properties

• Compound Name: 6-(4-chlorophenyl)-2-[2-(6-methyl-2-pyridinyl)pyrrolidin-1-yl]imidazo[2,1-b][1,3,4]thiadiazole
• PubChem CID: 133494765
• Molecular Formula: C20H18ClN5S
• Molecular Weight: 395.92 g/mol
• Exact Mass: 395.10
• IUPAC Name: 6-(4-chlorophenyl)-2-[2-(6-methyl-2-pyridinyl)pyrrolidin-1-yl]imidazo[2,1-b][1,3,4]thiadiazole
• SMILES: Cc1cccc(C2CCCN2c2nn3cc(-c4ccc(Cl)cc4)nc3s2)n1
• InChI: InChI=1S/C20H18ClN5S/c1-13-4-2-5-16(22-13)18-6-3-11-25(18)20-24-26-12-17(23-19(26)27-20)14-7-9-15(21)10-8-14/h2,4-5,7-10,12,18H,3,6,11H2,1H3
• InChIKey: YUXQJULFYAKCJK-UHFFFAOYSA-N
• XLogP: 5.16
• TPSA: 46.32 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	395.92
LogP ≤ 5	5.16
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 6-(4-chlorophenyl)-2-[2-(6-methyl-2-pyridinyl)pyrrolidin-1-yl]imidazo[2,1-b][1,3,4]thiadiazole?

The IUPAC name of 6-(4-chlorophenyl)-2-[2-(6-methyl-2-pyridinyl)pyrrolidin-1-yl]imidazo[2,1-b][1,3,4]thiadiazole (CID 133494765) is 6-(4-chlorophenyl)-2-[2-(6-methyl-2-pyridinyl)pyrrolidin-1-yl]imidazo[2,1-b][1,3,4]thiadiazole.

What is the SMILES notation for 6-(4-chlorophenyl)-2-[2-(6-methyl-2-pyridinyl)pyrrolidin-1-yl]imidazo[2,1-b][1,3,4]thiadiazole?

The canonical SMILES for 6-(4-chlorophenyl)-2-[2-(6-methyl-2-pyridinyl)pyrrolidin-1-yl]imidazo[2,1-b][1,3,4]thiadiazole is Cc1cccc(C2CCCN2c2nn3cc(-c4ccc(Cl)cc4)nc3s2)n1.

What is the InChIKey of 6-(4-chlorophenyl)-2-[2-(6-methyl-2-pyridinyl)pyrrolidin-1-yl]imidazo[2,1-b][1,3,4]thiadiazole?

The InChIKey is YUXQJULFYAKCJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClN5S/c1-13-4-2-5-16(22-13)18-6-3-11-25(18)20-24-26-12-17(23-19(26)27-20)14-7-9-15(21)10-8-14/h2,4-5,7-10,12,18H,3,6,11H2,1H3.

What are the key properties of 6-(4-chlorophenyl)-2-[2-(6-methyl-2-pyridinyl)pyrrolidin-1-yl]imidazo[2,1-b][1,3,4]thiadiazole?

6-(4-chlorophenyl)-2-[2-(6-methyl-2-pyridinyl)pyrrolidin-1-yl]imidazo[2,1-b][1,3,4]thiadiazole has a molecular weight of 395.92 g/mol, XLogP of 5.16, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(4-chlorophenyl)-2-[2-(6-methyl-2-pyridinyl)pyrrolidin-1-yl]imidazo[2,1-b][1,3,4]thiadiazole is sourced from PubChem (CID 133494765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).