N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-[(2-phenyl-1H-indol-3-yl)sulfanyl]acetamide

C20H18N4OS3 — CID 4153781

About N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-[(2-phenyl-1H-indol-3-yl)sulfanyl]acetamide

N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-[(2-phenyl-1H-indol-3-yl)sulfanyl]acetamide (PubChem CID 4153781) has the molecular formula C20H18N4OS3 and a molecular weight of 426.59 g/mol. Its IUPAC name is N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-[(2-phenyl-1H-indol-3-yl)sulfanyl]acetamide.

Molecular Properties

• Compound Name: N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-[(2-phenyl-1H-indol-3-yl)sulfanyl]acetamide
• PubChem CID: 4153781
• Molecular Formula: C20H18N4OS3
• Molecular Weight: 426.59 g/mol
• Exact Mass: 426.06
• IUPAC Name: N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-[(2-phenyl-1H-indol-3-yl)sulfanyl]acetamide
• SMILES: CCSc1nnc(NC(=O)CSc2c(-c3ccccc3)[nH]c3ccccc23)s1
• InChI: InChI=1S/C20H18N4OS3/c1-2-26-20-24-23-19(28-20)22-16(25)12-27-18-14-10-6-7-11-15(14)21-17(18)13-8-4-3-5-9-13/h3-11,21H,2,12H2,1H3,(H,22,23,25)
• InChIKey: QSXIADBWJYENLK-UHFFFAOYSA-N
• XLogP: 5.53
• TPSA: 70.67 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	426.59
LogP ≤ 5	5.53
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'N-acyl-2-amino-5-mercapto-1,3,4-_thiadiazole', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-[(2-phenyl-1H-indol-3-yl)sulfanyl]acetamide?

The IUPAC name of N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-[(2-phenyl-1H-indol-3-yl)sulfanyl]acetamide (CID 4153781) is N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-[(2-phenyl-1H-indol-3-yl)sulfanyl]acetamide.

What is the SMILES notation for N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-[(2-phenyl-1H-indol-3-yl)sulfanyl]acetamide?

The canonical SMILES for N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-[(2-phenyl-1H-indol-3-yl)sulfanyl]acetamide is CCSc1nnc(NC(=O)CSc2c(-c3ccccc3)[nH]c3ccccc23)s1.

What is the InChIKey of N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-[(2-phenyl-1H-indol-3-yl)sulfanyl]acetamide?

The InChIKey is QSXIADBWJYENLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4OS3/c1-2-26-20-24-23-19(28-20)22-16(25)12-27-18-14-10-6-7-11-15(14)21-17(18)13-8-4-3-5-9-13/h3-11,21H,2,12H2,1H3,(H,22,23,25).

What are the key properties of N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-[(2-phenyl-1H-indol-3-yl)sulfanyl]acetamide?

N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-[(2-phenyl-1H-indol-3-yl)sulfanyl]acetamide has a molecular weight of 426.59 g/mol, XLogP of 5.53, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-[(2-phenyl-1H-indol-3-yl)sulfanyl]acetamide is sourced from PubChem (CID 4153781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).