1-(2-methyl-2,3-dihydroindol-1-yl)-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propan-1-one

C18H17N3O2S2 — CID 43008196

About 1-(2-methyl-2,3-dihydroindol-1-yl)-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propan-1-one

1-(2-methyl-2,3-dihydroindol-1-yl)-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propan-1-one (PubChem CID 43008196) has the molecular formula C18H17N3O2S2 and a molecular weight of 371.49 g/mol. Its IUPAC name is 1-(2-methyl-2,3-dihydroindol-1-yl)-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propan-1-one.

Molecular Properties

• Compound Name: 1-(2-methyl-2,3-dihydroindol-1-yl)-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propan-1-one
• PubChem CID: 43008196
• Molecular Formula: C18H17N3O2S2
• Molecular Weight: 371.49 g/mol
• Exact Mass: 371.08
• IUPAC Name: 1-(2-methyl-2,3-dihydroindol-1-yl)-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propan-1-one
• SMILES: CC(Sc1nnc(-c2cccs2)o1)C(=O)N1c2ccccc2CC1C
• InChI: InChI=1S/C18H17N3O2S2/c1-11-10-13-6-3-4-7-14(13)21(11)17(22)12(2)25-18-20-19-16(23-18)15-8-5-9-24-15/h3-9,11-12H,10H2,1-2H3
• InChIKey: HYGAYQWXEWIMTH-UHFFFAOYSA-N
• XLogP: 4.26
• TPSA: 59.23 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	371.49
LogP ≤ 5	4.26
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-2,3-dihydroindol-1-yl)-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propan-1-one?

The IUPAC name of 1-(2-methyl-2,3-dihydroindol-1-yl)-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propan-1-one (CID 43008196) is 1-(2-methyl-2,3-dihydroindol-1-yl)-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propan-1-one.

What is the SMILES notation for 1-(2-methyl-2,3-dihydroindol-1-yl)-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propan-1-one?

The canonical SMILES for 1-(2-methyl-2,3-dihydroindol-1-yl)-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propan-1-one is CC(Sc1nnc(-c2cccs2)o1)C(=O)N1c2ccccc2CC1C.

What is the InChIKey of 1-(2-methyl-2,3-dihydroindol-1-yl)-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propan-1-one?

The InChIKey is HYGAYQWXEWIMTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2S2/c1-11-10-13-6-3-4-7-14(13)21(11)17(22)12(2)25-18-20-19-16(23-18)15-8-5-9-24-15/h3-9,11-12H,10H2,1-2H3.

What are the key properties of 1-(2-methyl-2,3-dihydroindol-1-yl)-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propan-1-one?

1-(2-methyl-2,3-dihydroindol-1-yl)-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propan-1-one has a molecular weight of 371.49 g/mol, XLogP of 4.26, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(2-methyl-2,3-dihydroindol-1-yl)-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propan-1-one is sourced from PubChem (CID 43008196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).