N-(pyridin-3-ylmethyl)-6-(3,4,5-trimethoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine

C19H19N5O3S — CID 67108322

About N-(pyridin-3-ylmethyl)-6-(3,4,5-trimethoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine

N-(pyridin-3-ylmethyl)-6-(3,4,5-trimethoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine (PubChem CID 67108322) has the molecular formula C19H19N5O3S and a molecular weight of 397.46 g/mol. Its IUPAC name is N-(pyridin-3-ylmethyl)-6-(3,4,5-trimethoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine.

Molecular Properties

• Compound Name: N-(pyridin-3-ylmethyl)-6-(3,4,5-trimethoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine
• PubChem CID: 67108322
• Molecular Formula: C19H19N5O3S
• Molecular Weight: 397.46 g/mol
• Exact Mass: 397.12
• IUPAC Name: N-(pyridin-3-ylmethyl)-6-(3,4,5-trimethoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine
• SMILES: COc1cc(-c2cn3nc(NCc4cccnc4)sc3n2)cc(OC)c1OC
• InChI: InChI=1S/C19H19N5O3S/c1-25-15-7-13(8-16(26-2)17(15)27-3)14-11-24-19(22-14)28-18(23-24)21-10-12-5-4-6-20-9-12/h4-9,11H,10H2,1-3H3,(H,21,23)
• InChIKey: WICSQGZGYWSJAW-UHFFFAOYSA-N
• XLogP: 3.49
• TPSA: 82.80 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	397.46
LogP ≤ 5	3.49
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of N-(pyridin-3-ylmethyl)-6-(3,4,5-trimethoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine?

The IUPAC name of N-(pyridin-3-ylmethyl)-6-(3,4,5-trimethoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine (CID 67108322) is N-(pyridin-3-ylmethyl)-6-(3,4,5-trimethoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine.

What is the SMILES notation for N-(pyridin-3-ylmethyl)-6-(3,4,5-trimethoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine?

The canonical SMILES for N-(pyridin-3-ylmethyl)-6-(3,4,5-trimethoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine is COc1cc(-c2cn3nc(NCc4cccnc4)sc3n2)cc(OC)c1OC.

What is the InChIKey of N-(pyridin-3-ylmethyl)-6-(3,4,5-trimethoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine?

The InChIKey is WICSQGZGYWSJAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O3S/c1-25-15-7-13(8-16(26-2)17(15)27-3)14-11-24-19(22-14)28-18(23-24)21-10-12-5-4-6-20-9-12/h4-9,11H,10H2,1-3H3,(H,21,23).

What are the key properties of N-(pyridin-3-ylmethyl)-6-(3,4,5-trimethoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine?

N-(pyridin-3-ylmethyl)-6-(3,4,5-trimethoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine has a molecular weight of 397.46 g/mol, XLogP of 3.49, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-(pyridin-3-ylmethyl)-6-(3,4,5-trimethoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine is sourced from PubChem (CID 67108322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).