(2S)-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-(1,3,4-thiadiazol-2-ylsulfanyl)propan-1-one

C14H15N3OS2 — CID 2097604

About (2S)-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-(1,3,4-thiadiazol-2-ylsulfanyl)propan-1-one

(2S)-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-(1,3,4-thiadiazol-2-ylsulfanyl)propan-1-one (PubChem CID 2097604) has the molecular formula C14H15N3OS2 and a molecular weight of 305.43 g/mol. Its IUPAC name is (2S)-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-(1,3,4-thiadiazol-2-ylsulfanyl)propan-1-one.

Molecular Properties

• Compound Name: (2S)-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-(1,3,4-thiadiazol-2-ylsulfanyl)propan-1-one
• PubChem CID: 2097604
• Molecular Formula: C14H15N3OS2
• Molecular Weight: 305.43 g/mol
• Exact Mass: 305.07
• IUPAC Name: (2S)-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-(1,3,4-thiadiazol-2-ylsulfanyl)propan-1-one
• SMILES: C[C@H](Sc1nncs1)C(=O)N1c2ccccc2C[C@H]1C
• InChI: InChI=1S/C14H15N3OS2/c1-9-7-11-5-3-4-6-12(11)17(9)13(18)10(2)20-14-16-15-8-19-14/h3-6,8-10H,7H2,1-2H3/t9-,10+/m1/s1
• InChIKey: TWGIJTVTOVQQTI-ZJUUUORDSA-N
• XLogP: 3.00
• TPSA: 46.09 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 20
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	305.43
LogP ≤ 5	3.00
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-(1,3,4-thiadiazol-2-ylsulfanyl)propan-1-one?

The IUPAC name of (2S)-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-(1,3,4-thiadiazol-2-ylsulfanyl)propan-1-one (CID 2097604) is (2S)-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-(1,3,4-thiadiazol-2-ylsulfanyl)propan-1-one.

What is the SMILES notation for (2S)-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-(1,3,4-thiadiazol-2-ylsulfanyl)propan-1-one?

The canonical SMILES for (2S)-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-(1,3,4-thiadiazol-2-ylsulfanyl)propan-1-one is C[C@H](Sc1nncs1)C(=O)N1c2ccccc2C[C@H]1C.

What is the InChIKey of (2S)-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-(1,3,4-thiadiazol-2-ylsulfanyl)propan-1-one?

The InChIKey is TWGIJTVTOVQQTI-ZJUUUORDSA-N. The full InChI is InChI=1S/C14H15N3OS2/c1-9-7-11-5-3-4-6-12(11)17(9)13(18)10(2)20-14-16-15-8-19-14/h3-6,8-10H,7H2,1-2H3/t9-,10+/m1/s1.

What are the key properties of (2S)-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-(1,3,4-thiadiazol-2-ylsulfanyl)propan-1-one?

(2S)-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-(1,3,4-thiadiazol-2-ylsulfanyl)propan-1-one has a molecular weight of 305.43 g/mol, XLogP of 3.00, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-(1,3,4-thiadiazol-2-ylsulfanyl)propan-1-one is sourced from PubChem (CID 2097604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).