5-[6-(2-morpholin-4-ylethylamino)-3-pyridinyl]-N-(thiophen-2-ylmethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine

C20H23N7OS2 — CID 58285827

About 5-[6-(2-morpholin-4-ylethylamino)-3-pyridinyl]-N-(thiophen-2-ylmethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine

5-[6-(2-morpholin-4-ylethylamino)-3-pyridinyl]-N-(thiophen-2-ylmethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine (PubChem CID 58285827) has the molecular formula C20H23N7OS2 and a molecular weight of 441.59 g/mol. Its IUPAC name is 5-[6-(2-morpholin-4-ylethylamino)-3-pyridinyl]-N-(thiophen-2-ylmethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine.

Molecular Properties

• Compound Name: 5-[6-(2-morpholin-4-ylethylamino)-3-pyridinyl]-N-(thiophen-2-ylmethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine
• PubChem CID: 58285827
• Molecular Formula: C20H23N7OS2
• Molecular Weight: 441.59 g/mol
• Exact Mass: 441.14
• IUPAC Name: 5-[6-(2-morpholin-4-ylethylamino)-3-pyridinyl]-N-(thiophen-2-ylmethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine
• SMILES: c1csc(CNc2nn3c(-c4ccc(NCCN5CCOCC5)nc4)cnc3s2)c1
• InChI: InChI=1S/C20H23N7OS2/c1-2-16(29-11-1)13-23-19-25-27-17(14-24-20(27)30-19)15-3-4-18(22-12-15)21-5-6-26-7-9-28-10-8-26/h1-4,11-12,14H,5-10,13H2,(H,21,22)(H,23,25)
• InChIKey: NPJJRTADQZXFNR-UHFFFAOYSA-N
• XLogP: 3.27
• TPSA: 79.61 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 8
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	441.59
LogP ≤ 5	3.27
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

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

The IUPAC name of 5-[6-(2-morpholin-4-ylethylamino)-3-pyridinyl]-N-(thiophen-2-ylmethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine (CID 58285827) is 5-[6-(2-morpholin-4-ylethylamino)-3-pyridinyl]-N-(thiophen-2-ylmethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine.

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

The canonical SMILES for 5-[6-(2-morpholin-4-ylethylamino)-3-pyridinyl]-N-(thiophen-2-ylmethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine is c1csc(CNc2nn3c(-c4ccc(NCCN5CCOCC5)nc4)cnc3s2)c1.

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

The InChIKey is NPJJRTADQZXFNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N7OS2/c1-2-16(29-11-1)13-23-19-25-27-17(14-24-20(27)30-19)15-3-4-18(22-12-15)21-5-6-26-7-9-28-10-8-26/h1-4,11-12,14H,5-10,13H2,(H,21,22)(H,23,25).

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

5-[6-(2-morpholin-4-ylethylamino)-3-pyridinyl]-N-(thiophen-2-ylmethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine has a molecular weight of 441.59 g/mol, XLogP of 3.27, 8 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[6-(2-morpholin-4-ylethylamino)-3-pyridinyl]-N-(thiophen-2-ylmethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine is sourced from PubChem (CID 58285827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).