N-(9-ethylcarbazol-3-yl)-2-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)acetamide

C22H19N5OS2 — CID 35508235

About N-(9-ethylcarbazol-3-yl)-2-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)acetamide

N-(9-ethylcarbazol-3-yl)-2-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)acetamide (PubChem CID 35508235) has the molecular formula C22H19N5OS2 and a molecular weight of 433.56 g/mol. Its IUPAC name is N-(9-ethylcarbazol-3-yl)-2-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)acetamide.

Molecular Properties

• Compound Name: N-(9-ethylcarbazol-3-yl)-2-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)acetamide
• PubChem CID: 35508235
• Molecular Formula: C22H19N5OS2
• Molecular Weight: 433.56 g/mol
• Exact Mass: 433.10
• IUPAC Name: N-(9-ethylcarbazol-3-yl)-2-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)acetamide
• SMILES: CCn1c2ccccc2c2cc(NC(=O)Cn3c(-c4cccs4)n[nH]c3=S)ccc21
• InChI: InChI=1S/C22H19N5OS2/c1-2-26-17-7-4-3-6-15(17)16-12-14(9-10-18(16)26)23-20(28)13-27-21(24-25-22(27)29)19-8-5-11-30-19/h3-12H,2,13H2,1H3,(H,23,28)(H,25,29)
• InChIKey: VGRNWHCDNAUVJF-UHFFFAOYSA-N
• XLogP: 5.44
• TPSA: 67.64 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	433.56
LogP ≤ 5	5.44
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-(9-ethylcarbazol-3-yl)-2-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)acetamide?

The IUPAC name of N-(9-ethylcarbazol-3-yl)-2-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)acetamide (CID 35508235) is N-(9-ethylcarbazol-3-yl)-2-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)acetamide.

What is the SMILES notation for N-(9-ethylcarbazol-3-yl)-2-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)acetamide?

The canonical SMILES for N-(9-ethylcarbazol-3-yl)-2-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)acetamide is CCn1c2ccccc2c2cc(NC(=O)Cn3c(-c4cccs4)n[nH]c3=S)ccc21.

What is the InChIKey of N-(9-ethylcarbazol-3-yl)-2-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)acetamide?

The InChIKey is VGRNWHCDNAUVJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N5OS2/c1-2-26-17-7-4-3-6-15(17)16-12-14(9-10-18(16)26)23-20(28)13-27-21(24-25-22(27)29)19-8-5-11-30-19/h3-12H,2,13H2,1H3,(H,23,28)(H,25,29).

What are the key properties of N-(9-ethylcarbazol-3-yl)-2-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)acetamide?

N-(9-ethylcarbazol-3-yl)-2-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)acetamide has a molecular weight of 433.56 g/mol, XLogP of 5.44, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-(9-ethylcarbazol-3-yl)-2-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)acetamide is sourced from PubChem (CID 35508235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).