5-(3-pyridin-3-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)thiophen-2-amine

C12H8N6S2 — CID 114353053

About 5-(3-pyridin-3-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)thiophen-2-amine

5-(3-pyridin-3-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)thiophen-2-amine (PubChem CID 114353053) has the molecular formula C12H8N6S2 and a molecular weight of 300.37 g/mol. Its IUPAC name is 5-(3-pyridin-3-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)thiophen-2-amine.

Molecular Properties

• Compound Name: 5-(3-pyridin-3-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)thiophen-2-amine
• PubChem CID: 114353053
• Molecular Formula: C12H8N6S2
• Molecular Weight: 300.37 g/mol
• Exact Mass: 300.03
• IUPAC Name: 5-(3-pyridin-3-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)thiophen-2-amine
• SMILES: Nc1ccc(-c2nn3c(-c4cccnc4)nnc3s2)s1
• InChI: InChI=1S/C12H8N6S2/c13-9-4-3-8(19-9)11-17-18-10(15-16-12(18)20-11)7-2-1-5-14-6-7/h1-6H,13H2
• InChIKey: RJKDXGBUYNMCHJ-UHFFFAOYSA-N
• XLogP: 2.56
• TPSA: 81.99 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 2
• Heavy Atoms: 20
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	300.37
LogP ≤ 5	2.56
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 5-(3-pyridin-3-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)thiophen-2-amine?

The IUPAC name of 5-(3-pyridin-3-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)thiophen-2-amine (CID 114353053) is 5-(3-pyridin-3-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)thiophen-2-amine.

What is the SMILES notation for 5-(3-pyridin-3-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)thiophen-2-amine?

The canonical SMILES for 5-(3-pyridin-3-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)thiophen-2-amine is Nc1ccc(-c2nn3c(-c4cccnc4)nnc3s2)s1.

What is the InChIKey of 5-(3-pyridin-3-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)thiophen-2-amine?

The InChIKey is RJKDXGBUYNMCHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8N6S2/c13-9-4-3-8(19-9)11-17-18-10(15-16-12(18)20-11)7-2-1-5-14-6-7/h1-6H,13H2.

What are the key properties of 5-(3-pyridin-3-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)thiophen-2-amine?

5-(3-pyridin-3-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)thiophen-2-amine has a molecular weight of 300.37 g/mol, XLogP of 2.56, 2 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(3-pyridin-3-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)thiophen-2-amine is sourced from PubChem (CID 114353053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).