N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-(1H-indol-3-yl)acetamide;3-ethyl-1H-indole;N-(1,3,4-thiadiazol-2-yl)formamide

C31H34N8O2S2 — CID 144630672

About N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-(1H-indol-3-yl)acetamide;3-ethyl-1H-indole;N-(1,3,4-thiadiazol-2-yl)formamide

N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-(1H-indol-3-yl)acetamide;3-ethyl-1H-indole;N-(1,3,4-thiadiazol-2-yl)formamide (PubChem CID 144630672) has the molecular formula C31H34N8O2S2 and a molecular weight of 614.80 g/mol. Its IUPAC name is N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-(1H-indol-3-yl)acetamide;3-ethyl-1H-indole;N-(1,3,4-thiadiazol-2-yl)formamide.

Molecular Properties

• Compound Name: N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-(1H-indol-3-yl)acetamide;3-ethyl-1H-indole;N-(1,3,4-thiadiazol-2-yl)formamide
• PubChem CID: 144630672
• Molecular Formula: C31H34N8O2S2
• Molecular Weight: 614.80 g/mol
• Exact Mass: 614.22
• IUPAC Name: N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-(1H-indol-3-yl)acetamide;3-ethyl-1H-indole;N-(1,3,4-thiadiazol-2-yl)formamide
• SMILES: CCc1c[nH]c2ccccc12.O=C(Cc1c[nH]c2ccccc12)Nc1nnc(C2CCCCC2)s1.O=CNc1nncs1
• InChI: InChI=1S/C18H20N4OS.C10H11N.C3H3N3OS/c23-16(10-13-11-19-15-9-5-4-8-14(13)15)20-18-22-21-17(24-18)12-6-2-1-3-7-12;1-2-8-7-11-10-6-4-3-5-9(8)10;7-1-4-3-6-5-2-8-3/h4-5,8-9,11-12,19H,1-3,6-7,10H2,(H,20,22,23);3-7,11H,2H2,1H3;1-2H,(H,4,6,7)
• InChIKey: DDJOCZHNGJLKMU-UHFFFAOYSA-N
• XLogP: 7.09
• TPSA: 141.34 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	614.80
LogP ≤ 5	7.09
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-(1H-indol-3-yl)acetamide;3-ethyl-1H-indole;N-(1,3,4-thiadiazol-2-yl)formamide?

The IUPAC name of N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-(1H-indol-3-yl)acetamide;3-ethyl-1H-indole;N-(1,3,4-thiadiazol-2-yl)formamide (CID 144630672) is N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-(1H-indol-3-yl)acetamide;3-ethyl-1H-indole;N-(1,3,4-thiadiazol-2-yl)formamide.

What is the SMILES notation for N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-(1H-indol-3-yl)acetamide;3-ethyl-1H-indole;N-(1,3,4-thiadiazol-2-yl)formamide?

The canonical SMILES for N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-(1H-indol-3-yl)acetamide;3-ethyl-1H-indole;N-(1,3,4-thiadiazol-2-yl)formamide is CCc1c[nH]c2ccccc12.O=C(Cc1c[nH]c2ccccc12)Nc1nnc(C2CCCCC2)s1.O=CNc1nncs1.

What is the InChIKey of N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-(1H-indol-3-yl)acetamide;3-ethyl-1H-indole;N-(1,3,4-thiadiazol-2-yl)formamide?

The InChIKey is DDJOCZHNGJLKMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4OS.C10H11N.C3H3N3OS/c23-16(10-13-11-19-15-9-5-4-8-14(13)15)20-18-22-21-17(24-18)12-6-2-1-3-7-12;1-2-8-7-11-10-6-4-3-5-9(8)10;7-1-4-3-6-5-2-8-3/h4-5,8-9,11-12,19H,1-3,6-7,10H2,(H,20,22,23);3-7,11H,2H2,1H3;1-2H,(H,4,6,7).

What are the key properties of N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-(1H-indol-3-yl)acetamide;3-ethyl-1H-indole;N-(1,3,4-thiadiazol-2-yl)formamide?

N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-(1H-indol-3-yl)acetamide;3-ethyl-1H-indole;N-(1,3,4-thiadiazol-2-yl)formamide has a molecular weight of 614.80 g/mol, XLogP of 7.09, 7 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-(1H-indol-3-yl)acetamide;3-ethyl-1H-indole;N-(1,3,4-thiadiazol-2-yl)formamide is sourced from PubChem (CID 144630672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).