2-[[5-(2-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(3-methylbutyl)acetamide

C16H22N4OS2 — CID 2585654

About 2-[[5-(2-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(3-methylbutyl)acetamide

2-[[5-(2-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(3-methylbutyl)acetamide (PubChem CID 2585654) has the molecular formula C16H22N4OS2 and a molecular weight of 350.51 g/mol. Its IUPAC name is 2-[[5-(2-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(3-methylbutyl)acetamide.

Molecular Properties

• Compound Name: 2-[[5-(2-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(3-methylbutyl)acetamide
• PubChem CID: 2585654
• Molecular Formula: C16H22N4OS2
• Molecular Weight: 350.51 g/mol
• Exact Mass: 350.12
• IUPAC Name: 2-[[5-(2-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(3-methylbutyl)acetamide
• SMILES: Cc1ccccc1Nc1nnc(SCC(=O)NCCC(C)C)s1
• InChI: InChI=1S/C16H22N4OS2/c1-11(2)8-9-17-14(21)10-22-16-20-19-15(23-16)18-13-7-5-4-6-12(13)3/h4-7,11H,8-10H2,1-3H3,(H,17,21)(H,18,19)
• InChIKey: QRZKAXPSPFQUOD-UHFFFAOYSA-N
• XLogP: 3.84
• TPSA: 66.91 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	350.51
LogP ≤ 5	3.84
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(2-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(3-methylbutyl)acetamide?

The IUPAC name of 2-[[5-(2-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(3-methylbutyl)acetamide (CID 2585654) is 2-[[5-(2-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(3-methylbutyl)acetamide.

What is the SMILES notation for 2-[[5-(2-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(3-methylbutyl)acetamide?

The canonical SMILES for 2-[[5-(2-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(3-methylbutyl)acetamide is Cc1ccccc1Nc1nnc(SCC(=O)NCCC(C)C)s1.

What is the InChIKey of 2-[[5-(2-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(3-methylbutyl)acetamide?

The InChIKey is QRZKAXPSPFQUOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4OS2/c1-11(2)8-9-17-14(21)10-22-16-20-19-15(23-16)18-13-7-5-4-6-12(13)3/h4-7,11H,8-10H2,1-3H3,(H,17,21)(H,18,19).

What are the key properties of 2-[[5-(2-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(3-methylbutyl)acetamide?

2-[[5-(2-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(3-methylbutyl)acetamide has a molecular weight of 350.51 g/mol, XLogP of 3.84, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[5-(2-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(3-methylbutyl)acetamide is sourced from PubChem (CID 2585654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).