N-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide

C14H14F2N4O3S2 — CID 8910792

About N-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide

N-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide (PubChem CID 8910792) has the molecular formula C14H14F2N4O3S2 and a molecular weight of 388.42 g/mol. Its IUPAC name is N-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide.

Molecular Properties

• Compound Name: N-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
• PubChem CID: 8910792
• Molecular Formula: C14H14F2N4O3S2
• Molecular Weight: 388.42 g/mol
• Exact Mass: 388.05
• IUPAC Name: N-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
• SMILES: CCCNc1nnc(SCC(=O)Nc2ccc3c(c2)OC(F)(F)O3)s1
• InChI: InChI=1S/C14H14F2N4O3S2/c1-2-5-17-12-19-20-13(25-12)24-7-11(21)18-8-3-4-9-10(6-8)23-14(15,16)22-9/h3-4,6H,2,5,7H2,1H3,(H,17,19)(H,18,21)
• InChIKey: BCAPZHLGUZWXEB-UHFFFAOYSA-N
• XLogP: 3.41
• TPSA: 85.37 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	388.42
LogP ≤ 5	3.41
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of N-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide (CID 8910792) is N-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide.

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

The canonical SMILES for N-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide is CCCNc1nnc(SCC(=O)Nc2ccc3c(c2)OC(F)(F)O3)s1.

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

The InChIKey is BCAPZHLGUZWXEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F2N4O3S2/c1-2-5-17-12-19-20-13(25-12)24-7-11(21)18-8-3-4-9-10(6-8)23-14(15,16)22-9/h3-4,6H,2,5,7H2,1H3,(H,17,19)(H,18,21).

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

N-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide has a molecular weight of 388.42 g/mol, XLogP of 3.41, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide is sourced from PubChem (CID 8910792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).