4-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]-1,3-dihydroquinoxalin-2-one

C13H12N4O2S2 — CID 2394470

About 4-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]-1,3-dihydroquinoxalin-2-one

4-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]-1,3-dihydroquinoxalin-2-one (PubChem CID 2394470) has the molecular formula C13H12N4O2S2 and a molecular weight of 320.40 g/mol. Its IUPAC name is 4-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]-1,3-dihydroquinoxalin-2-one.

Molecular Properties

• Compound Name: 4-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]-1,3-dihydroquinoxalin-2-one
• PubChem CID: 2394470
• Molecular Formula: C13H12N4O2S2
• Molecular Weight: 320.40 g/mol
• Exact Mass: 320.04
• IUPAC Name: 4-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]-1,3-dihydroquinoxalin-2-one
• SMILES: Cc1nnc(SCC(=O)N2CC(=O)Nc3ccccc32)s1
• InChI: InChI=1S/C13H12N4O2S2/c1-8-15-16-13(21-8)20-7-12(19)17-6-11(18)14-9-4-2-3-5-10(9)17/h2-5H,6-7H2,1H3,(H,14,18)
• InChIKey: OHUWHUWAHCTAOX-UHFFFAOYSA-N
• XLogP: 1.92
• TPSA: 75.19 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 21
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	320.40
LogP ≤ 5	1.92
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]-1,3-dihydroquinoxalin-2-one?

The IUPAC name of 4-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]-1,3-dihydroquinoxalin-2-one (CID 2394470) is 4-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]-1,3-dihydroquinoxalin-2-one.

What is the SMILES notation for 4-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]-1,3-dihydroquinoxalin-2-one?

The canonical SMILES for 4-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]-1,3-dihydroquinoxalin-2-one is Cc1nnc(SCC(=O)N2CC(=O)Nc3ccccc32)s1.

What is the InChIKey of 4-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]-1,3-dihydroquinoxalin-2-one?

The InChIKey is OHUWHUWAHCTAOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O2S2/c1-8-15-16-13(21-8)20-7-12(19)17-6-11(18)14-9-4-2-3-5-10(9)17/h2-5H,6-7H2,1H3,(H,14,18).

What are the key properties of 4-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]-1,3-dihydroquinoxalin-2-one?

4-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]-1,3-dihydroquinoxalin-2-one has a molecular weight of 320.40 g/mol, XLogP of 1.92, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]-1,3-dihydroquinoxalin-2-one is sourced from PubChem (CID 2394470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).