2-[(6,8-dichloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]-N-(furan-2-ylmethylcarbamoyl)acetamide

C14H11Cl2N5O3S — CID 2539549

About 2-[(6,8-dichloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]-N-(furan-2-ylmethylcarbamoyl)acetamide

2-[(6,8-dichloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]-N-(furan-2-ylmethylcarbamoyl)acetamide (PubChem CID 2539549) has the molecular formula C14H11Cl2N5O3S and a molecular weight of 400.25 g/mol. Its IUPAC name is 2-[(6,8-dichloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]-N-(furan-2-ylmethylcarbamoyl)acetamide.

Molecular Properties

• Compound Name: 2-[(6,8-dichloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]-N-(furan-2-ylmethylcarbamoyl)acetamide
• PubChem CID: 2539549
• Molecular Formula: C14H11Cl2N5O3S
• Molecular Weight: 400.25 g/mol
• Exact Mass: 399.00
• IUPAC Name: 2-[(6,8-dichloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]-N-(furan-2-ylmethylcarbamoyl)acetamide
• SMILES: O=C(CSc1nnc2c(Cl)cc(Cl)cn12)NC(=O)NCc1ccco1
• InChI: InChI=1S/C14H11Cl2N5O3S/c15-8-4-10(16)12-19-20-14(21(12)6-8)25-7-11(22)18-13(23)17-5-9-2-1-3-24-9/h1-4,6H,5,7H2,(H2,17,18,22,23)
• InChIKey: CKGDKYPBDRHDRM-UHFFFAOYSA-N
• XLogP: 2.75
• TPSA: 101.53 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	400.25
LogP ≤ 5	2.75
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-[(6,8-dichloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]-N-(furan-2-ylmethylcarbamoyl)acetamide?

The IUPAC name of 2-[(6,8-dichloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]-N-(furan-2-ylmethylcarbamoyl)acetamide (CID 2539549) is 2-[(6,8-dichloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]-N-(furan-2-ylmethylcarbamoyl)acetamide.

What is the SMILES notation for 2-[(6,8-dichloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]-N-(furan-2-ylmethylcarbamoyl)acetamide?

The canonical SMILES for 2-[(6,8-dichloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]-N-(furan-2-ylmethylcarbamoyl)acetamide is O=C(CSc1nnc2c(Cl)cc(Cl)cn12)NC(=O)NCc1ccco1.

What is the InChIKey of 2-[(6,8-dichloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]-N-(furan-2-ylmethylcarbamoyl)acetamide?

The InChIKey is CKGDKYPBDRHDRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl2N5O3S/c15-8-4-10(16)12-19-20-14(21(12)6-8)25-7-11(22)18-13(23)17-5-9-2-1-3-24-9/h1-4,6H,5,7H2,(H2,17,18,22,23).

What are the key properties of 2-[(6,8-dichloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]-N-(furan-2-ylmethylcarbamoyl)acetamide?

2-[(6,8-dichloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]-N-(furan-2-ylmethylcarbamoyl)acetamide has a molecular weight of 400.25 g/mol, XLogP of 2.75, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(6,8-dichloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]-N-(furan-2-ylmethylcarbamoyl)acetamide is sourced from PubChem (CID 2539549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).