2-[[2-[(6,8-dichloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]acetyl]amino]thiophene-3-carboxamide

C13H9Cl2N5O2S2 — CID 35789892

About 2-[[2-[(6,8-dichloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]acetyl]amino]thiophene-3-carboxamide

2-[[2-[(6,8-dichloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]acetyl]amino]thiophene-3-carboxamide (PubChem CID 35789892) has the molecular formula C13H9Cl2N5O2S2 and a molecular weight of 402.29 g/mol. Its IUPAC name is 2-[[2-[(6,8-dichloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]acetyl]amino]thiophene-3-carboxamide.

Molecular Properties

• Compound Name: 2-[[2-[(6,8-dichloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]acetyl]amino]thiophene-3-carboxamide
• PubChem CID: 35789892
• Molecular Formula: C13H9Cl2N5O2S2
• Molecular Weight: 402.29 g/mol
• Exact Mass: 400.96
• IUPAC Name: 2-[[2-[(6,8-dichloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]acetyl]amino]thiophene-3-carboxamide
• SMILES: NC(=O)c1ccsc1NC(=O)CSc1nnc2c(Cl)cc(Cl)cn12
• InChI: InChI=1S/C13H9Cl2N5O2S2/c14-6-3-8(15)11-18-19-13(20(11)4-6)24-5-9(21)17-12-7(10(16)22)1-2-23-12/h1-4H,5H2,(H2,16,22)(H,17,21)
• InChIKey: FMJHZZSZDHWZKO-UHFFFAOYSA-N
• XLogP: 2.93
• TPSA: 102.38 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	402.29
LogP ≤ 5	2.93
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(6,8-dichloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]acetyl]amino]thiophene-3-carboxamide?

The IUPAC name of 2-[[2-[(6,8-dichloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]acetyl]amino]thiophene-3-carboxamide (CID 35789892) is 2-[[2-[(6,8-dichloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]acetyl]amino]thiophene-3-carboxamide.

What is the SMILES notation for 2-[[2-[(6,8-dichloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]acetyl]amino]thiophene-3-carboxamide?

The canonical SMILES for 2-[[2-[(6,8-dichloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]acetyl]amino]thiophene-3-carboxamide is NC(=O)c1ccsc1NC(=O)CSc1nnc2c(Cl)cc(Cl)cn12.

What is the InChIKey of 2-[[2-[(6,8-dichloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]acetyl]amino]thiophene-3-carboxamide?

The InChIKey is FMJHZZSZDHWZKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Cl2N5O2S2/c14-6-3-8(15)11-18-19-13(20(11)4-6)24-5-9(21)17-12-7(10(16)22)1-2-23-12/h1-4H,5H2,(H2,16,22)(H,17,21).

What are the key properties of 2-[[2-[(6,8-dichloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]acetyl]amino]thiophene-3-carboxamide?

2-[[2-[(6,8-dichloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]acetyl]amino]thiophene-3-carboxamide has a molecular weight of 402.29 g/mol, XLogP of 2.93, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[2-[(6,8-dichloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]acetyl]amino]thiophene-3-carboxamide is sourced from PubChem (CID 35789892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).