1,3-benzothiazol-6-yl-[(3R)-3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methanone

C19H20N4O2S — CID 99992556

About 1,3-benzothiazol-6-yl-[(3R)-3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methanone

1,3-benzothiazol-6-yl-[(3R)-3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methanone (PubChem CID 99992556) has the molecular formula C19H20N4O2S and a molecular weight of 368.46 g/mol. Its IUPAC name is 1,3-benzothiazol-6-yl-[(3R)-3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methanone.

Molecular Properties

• Compound Name: 1,3-benzothiazol-6-yl-[(3R)-3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methanone
• PubChem CID: 99992556
• Molecular Formula: C19H20N4O2S
• Molecular Weight: 368.46 g/mol
• Exact Mass: 368.13
• IUPAC Name: 1,3-benzothiazol-6-yl-[(3R)-3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methanone
• SMILES: O=C(c1ccc2ncsc2c1)N1CCC[C@H](Cc2nc(C3CC3)no2)C1
• InChI: InChI=1S/C19H20N4O2S/c24-19(14-5-6-15-16(9-14)26-11-20-15)23-7-1-2-12(10-23)8-17-21-18(22-25-17)13-3-4-13/h5-6,9,11-13H,1-4,7-8,10H2/t12-/m1/s1
• InChIKey: ZWODMGFEUVWPLA-GFCCVEGCSA-N
• XLogP: 3.65
• TPSA: 72.12 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	368.46
LogP ≤ 5	3.65
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1,3-benzothiazol-6-yl-[(3R)-3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methanone?

The IUPAC name of 1,3-benzothiazol-6-yl-[(3R)-3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methanone (CID 99992556) is 1,3-benzothiazol-6-yl-[(3R)-3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methanone.

What is the SMILES notation for 1,3-benzothiazol-6-yl-[(3R)-3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methanone?

The canonical SMILES for 1,3-benzothiazol-6-yl-[(3R)-3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methanone is O=C(c1ccc2ncsc2c1)N1CCC[C@H](Cc2nc(C3CC3)no2)C1.

What is the InChIKey of 1,3-benzothiazol-6-yl-[(3R)-3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methanone?

The InChIKey is ZWODMGFEUVWPLA-GFCCVEGCSA-N. The full InChI is InChI=1S/C19H20N4O2S/c24-19(14-5-6-15-16(9-14)26-11-20-15)23-7-1-2-12(10-23)8-17-21-18(22-25-17)13-3-4-13/h5-6,9,11-13H,1-4,7-8,10H2/t12-/m1/s1.

What are the key properties of 1,3-benzothiazol-6-yl-[(3R)-3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methanone?

1,3-benzothiazol-6-yl-[(3R)-3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methanone has a molecular weight of 368.46 g/mol, XLogP of 3.65, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1,3-benzothiazol-6-yl-[(3R)-3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methanone is sourced from PubChem (CID 99992556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).