N-(2-chloro-3-pyridinyl)-2-[[5-(2,6-diethylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide

C19H20ClN5OS2 — CID 24519541

About N-(2-chloro-3-pyridinyl)-2-[[5-(2,6-diethylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide

N-(2-chloro-3-pyridinyl)-2-[[5-(2,6-diethylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide (PubChem CID 24519541) has the molecular formula C19H20ClN5OS2 and a molecular weight of 433.99 g/mol. Its IUPAC name is N-(2-chloro-3-pyridinyl)-2-[[5-(2,6-diethylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide.

Molecular Properties

• Compound Name: N-(2-chloro-3-pyridinyl)-2-[[5-(2,6-diethylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
• PubChem CID: 24519541
• Molecular Formula: C19H20ClN5OS2
• Molecular Weight: 433.99 g/mol
• Exact Mass: 433.08
• IUPAC Name: N-(2-chloro-3-pyridinyl)-2-[[5-(2,6-diethylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
• SMILES: CCc1cccc(CC)c1Nc1nnc(SCC(=O)Nc2cccnc2Cl)s1
• InChI: InChI=1S/C19H20ClN5OS2/c1-3-12-7-5-8-13(4-2)16(12)23-18-24-25-19(28-18)27-11-15(26)22-14-9-6-10-21-17(14)20/h5-10H,3-4,11H2,1-2H3,(H,22,26)(H,23,24)
• InChIKey: VICWUWNLOKVMJA-UHFFFAOYSA-N
• XLogP: 5.19
• TPSA: 79.80 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	433.99
LogP ≤ 5	5.19
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-3-pyridinyl)-2-[[5-(2,6-diethylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide?

The IUPAC name of N-(2-chloro-3-pyridinyl)-2-[[5-(2,6-diethylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide (CID 24519541) is N-(2-chloro-3-pyridinyl)-2-[[5-(2,6-diethylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide.

What is the SMILES notation for N-(2-chloro-3-pyridinyl)-2-[[5-(2,6-diethylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide?

The canonical SMILES for N-(2-chloro-3-pyridinyl)-2-[[5-(2,6-diethylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide is CCc1cccc(CC)c1Nc1nnc(SCC(=O)Nc2cccnc2Cl)s1.

What is the InChIKey of N-(2-chloro-3-pyridinyl)-2-[[5-(2,6-diethylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide?

The InChIKey is VICWUWNLOKVMJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN5OS2/c1-3-12-7-5-8-13(4-2)16(12)23-18-24-25-19(28-18)27-11-15(26)22-14-9-6-10-21-17(14)20/h5-10H,3-4,11H2,1-2H3,(H,22,26)(H,23,24).

What are the key properties of N-(2-chloro-3-pyridinyl)-2-[[5-(2,6-diethylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide?

N-(2-chloro-3-pyridinyl)-2-[[5-(2,6-diethylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide has a molecular weight of 433.99 g/mol, XLogP of 5.19, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-chloro-3-pyridinyl)-2-[[5-(2,6-diethylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide is sourced from PubChem (CID 24519541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).