2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-1-(5-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)ethanone

C19H25N5O3S3 — CID 24527761

About 2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-1-(5-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)ethanone

2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-1-(5-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)ethanone (PubChem CID 24527761) has the molecular formula C19H25N5O3S3 and a molecular weight of 467.64 g/mol. Its IUPAC name is 2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-1-(5-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)ethanone.

Molecular Properties

• Compound Name: 2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-1-(5-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)ethanone
• PubChem CID: 24527761
• Molecular Formula: C19H25N5O3S3
• Molecular Weight: 467.64 g/mol
• Exact Mass: 467.11
• IUPAC Name: 2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-1-(5-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)ethanone
• SMILES: CCNc1nnc(SCC(=O)N2CCc3cc(S(=O)(=O)N4CCCCC4)ccc32)s1
• InChI: InChI=1S/C19H25N5O3S3/c1-2-20-18-21-22-19(29-18)28-13-17(25)24-11-8-14-12-15(6-7-16(14)24)30(26,27)23-9-4-3-5-10-23/h6-7,12H,2-5,8-11,13H2,1H3,(H,20,21)
• InChIKey: ULUYTDGVGAFODZ-UHFFFAOYSA-N
• XLogP: 2.83
• TPSA: 95.50 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	467.64
LogP ≤ 5	2.83
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-1-(5-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)ethanone?

The IUPAC name of 2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-1-(5-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)ethanone (CID 24527761) is 2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-1-(5-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)ethanone.

What is the SMILES notation for 2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-1-(5-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)ethanone?

The canonical SMILES for 2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-1-(5-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)ethanone is CCNc1nnc(SCC(=O)N2CCc3cc(S(=O)(=O)N4CCCCC4)ccc32)s1.

What is the InChIKey of 2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-1-(5-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)ethanone?

The InChIKey is ULUYTDGVGAFODZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O3S3/c1-2-20-18-21-22-19(29-18)28-13-17(25)24-11-8-14-12-15(6-7-16(14)24)30(26,27)23-9-4-3-5-10-23/h6-7,12H,2-5,8-11,13H2,1H3,(H,20,21).

What are the key properties of 2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-1-(5-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)ethanone?

2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-1-(5-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)ethanone has a molecular weight of 467.64 g/mol, XLogP of 2.83, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-1-(5-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)ethanone is sourced from PubChem (CID 24527761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).