5-[(3S)-1-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]piperidin-3-yl]-3H-1,3,4-oxadiazol-2-one

C15H13F3N4O2S — CID 100758069

About 5-[(3S)-1-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]piperidin-3-yl]-3H-1,3,4-oxadiazol-2-one

5-[(3S)-1-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]piperidin-3-yl]-3H-1,3,4-oxadiazol-2-one (PubChem CID 100758069) has the molecular formula C15H13F3N4O2S and a molecular weight of 370.36 g/mol. Its IUPAC name is 5-[(3S)-1-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]piperidin-3-yl]-3H-1,3,4-oxadiazol-2-one.

Molecular Properties

• Compound Name: 5-[(3S)-1-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]piperidin-3-yl]-3H-1,3,4-oxadiazol-2-one
• PubChem CID: 100758069
• Molecular Formula: C15H13F3N4O2S
• Molecular Weight: 370.36 g/mol
• Exact Mass: 370.07
• IUPAC Name: 5-[(3S)-1-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]piperidin-3-yl]-3H-1,3,4-oxadiazol-2-one
• SMILES: O=c1[nH]nc([C@H]2CCCN(c3nc4cc(C(F)(F)F)ccc4s3)C2)o1
• InChI: InChI=1S/C15H13F3N4O2S/c16-15(17,18)9-3-4-11-10(6-9)19-13(25-11)22-5-1-2-8(7-22)12-20-21-14(23)24-12/h3-4,6,8H,1-2,5,7H2,(H,21,23)/t8-/m0/s1
• InChIKey: WCYLUKUIZSEEEM-QMMMGPOBSA-N
• XLogP: 3.38
• TPSA: 75.02 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 2
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	370.36
LogP ≤ 5	3.38
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 5-[(3S)-1-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]piperidin-3-yl]-3H-1,3,4-oxadiazol-2-one?

The IUPAC name of 5-[(3S)-1-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]piperidin-3-yl]-3H-1,3,4-oxadiazol-2-one (CID 100758069) is 5-[(3S)-1-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]piperidin-3-yl]-3H-1,3,4-oxadiazol-2-one.

What is the SMILES notation for 5-[(3S)-1-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]piperidin-3-yl]-3H-1,3,4-oxadiazol-2-one?

The canonical SMILES for 5-[(3S)-1-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]piperidin-3-yl]-3H-1,3,4-oxadiazol-2-one is O=c1[nH]nc([C@H]2CCCN(c3nc4cc(C(F)(F)F)ccc4s3)C2)o1.

What is the InChIKey of 5-[(3S)-1-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]piperidin-3-yl]-3H-1,3,4-oxadiazol-2-one?

The InChIKey is WCYLUKUIZSEEEM-QMMMGPOBSA-N. The full InChI is InChI=1S/C15H13F3N4O2S/c16-15(17,18)9-3-4-11-10(6-9)19-13(25-11)22-5-1-2-8(7-22)12-20-21-14(23)24-12/h3-4,6,8H,1-2,5,7H2,(H,21,23)/t8-/m0/s1.

What are the key properties of 5-[(3S)-1-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]piperidin-3-yl]-3H-1,3,4-oxadiazol-2-one?

5-[(3S)-1-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]piperidin-3-yl]-3H-1,3,4-oxadiazol-2-one has a molecular weight of 370.36 g/mol, XLogP of 3.38, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(3S)-1-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]piperidin-3-yl]-3H-1,3,4-oxadiazol-2-one is sourced from PubChem (CID 100758069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).