2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(3,5-dichloro-4-methyl-2-pyridinyl)acetamide

C16H13Cl2N5OS2 — CID 2161543

About 2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(3,5-dichloro-4-methyl-2-pyridinyl)acetamide

2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(3,5-dichloro-4-methyl-2-pyridinyl)acetamide (PubChem CID 2161543) has the molecular formula C16H13Cl2N5OS2 and a molecular weight of 426.35 g/mol. Its IUPAC name is 2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(3,5-dichloro-4-methyl-2-pyridinyl)acetamide.

Molecular Properties

• Compound Name: 2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(3,5-dichloro-4-methyl-2-pyridinyl)acetamide
• PubChem CID: 2161543
• Molecular Formula: C16H13Cl2N5OS2
• Molecular Weight: 426.35 g/mol
• Exact Mass: 424.99
• IUPAC Name: 2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(3,5-dichloro-4-methyl-2-pyridinyl)acetamide
• SMILES: Cc1c(Cl)cnc(NC(=O)CSc2nnc(Nc3ccccc3)s2)c1Cl
• InChI: InChI=1S/C16H13Cl2N5OS2/c1-9-11(17)7-19-14(13(9)18)21-12(24)8-25-16-23-22-15(26-16)20-10-5-3-2-4-6-10/h2-7H,8H2,1H3,(H,20,22)(H,19,21,24)
• InChIKey: DWMFESBSOAEQAS-UHFFFAOYSA-N
• XLogP: 5.02
• TPSA: 79.80 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	426.35
LogP ≤ 5	5.02
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(3,5-dichloro-4-methyl-2-pyridinyl)acetamide?

The IUPAC name of 2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(3,5-dichloro-4-methyl-2-pyridinyl)acetamide (CID 2161543) is 2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(3,5-dichloro-4-methyl-2-pyridinyl)acetamide.

What is the SMILES notation for 2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(3,5-dichloro-4-methyl-2-pyridinyl)acetamide?

The canonical SMILES for 2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(3,5-dichloro-4-methyl-2-pyridinyl)acetamide is Cc1c(Cl)cnc(NC(=O)CSc2nnc(Nc3ccccc3)s2)c1Cl.

What is the InChIKey of 2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(3,5-dichloro-4-methyl-2-pyridinyl)acetamide?

The InChIKey is DWMFESBSOAEQAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13Cl2N5OS2/c1-9-11(17)7-19-14(13(9)18)21-12(24)8-25-16-23-22-15(26-16)20-10-5-3-2-4-6-10/h2-7H,8H2,1H3,(H,20,22)(H,19,21,24).

What are the key properties of 2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(3,5-dichloro-4-methyl-2-pyridinyl)acetamide?

2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(3,5-dichloro-4-methyl-2-pyridinyl)acetamide has a molecular weight of 426.35 g/mol, XLogP of 5.02, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(3,5-dichloro-4-methyl-2-pyridinyl)acetamide is sourced from PubChem (CID 2161543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).