N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-[(6,8-dichloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]acetamide

C15H11Cl2N5OS2 — CID 2493469

About N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-[(6,8-dichloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]acetamide

N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-[(6,8-dichloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]acetamide (PubChem CID 2493469) has the molecular formula C15H11Cl2N5OS2 and a molecular weight of 412.33 g/mol. Its IUPAC name is N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-[(6,8-dichloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]acetamide.

Molecular Properties

• Compound Name: N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-[(6,8-dichloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]acetamide
• PubChem CID: 2493469
• Molecular Formula: C15H11Cl2N5OS2
• Molecular Weight: 412.33 g/mol
• Exact Mass: 410.98
• IUPAC Name: N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-[(6,8-dichloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]acetamide
• SMILES: Cc1sc(NC(=O)CSc2nnc3c(Cl)cc(Cl)cn23)c(C#N)c1C
• InChI: InChI=1S/C15H11Cl2N5OS2/c1-7-8(2)25-14(10(7)4-18)19-12(23)6-24-15-21-20-13-11(17)3-9(16)5-22(13)15/h3,5H,6H2,1-2H3,(H,19,23)
• InChIKey: YHRHZYMOYVDLPS-UHFFFAOYSA-N
• XLogP: 4.32
• TPSA: 83.08 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	412.33
LogP ≤ 5	4.32
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-[(6,8-dichloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]acetamide?

The IUPAC name of N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-[(6,8-dichloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]acetamide (CID 2493469) is N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-[(6,8-dichloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]acetamide.

What is the SMILES notation for N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-[(6,8-dichloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]acetamide?

The canonical SMILES for N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-[(6,8-dichloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]acetamide is Cc1sc(NC(=O)CSc2nnc3c(Cl)cc(Cl)cn23)c(C#N)c1C.

What is the InChIKey of N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-[(6,8-dichloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]acetamide?

The InChIKey is YHRHZYMOYVDLPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Cl2N5OS2/c1-7-8(2)25-14(10(7)4-18)19-12(23)6-24-15-21-20-13-11(17)3-9(16)5-22(13)15/h3,5H,6H2,1-2H3,(H,19,23).

What are the key properties of N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-[(6,8-dichloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]acetamide?

N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-[(6,8-dichloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]acetamide has a molecular weight of 412.33 g/mol, XLogP of 4.32, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-[(6,8-dichloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]acetamide is sourced from PubChem (CID 2493469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).