[1-(6-fluoro-1,3-benzothiazol-2-yl)piperidin-3-yl]-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone

C23H23F4N5OS — CID 90610343

About [1-(6-fluoro-1,3-benzothiazol-2-yl)piperidin-3-yl]-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone

[1-(6-fluoro-1,3-benzothiazol-2-yl)piperidin-3-yl]-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone (PubChem CID 90610343) has the molecular formula C23H23F4N5OS and a molecular weight of 493.53 g/mol. Its IUPAC name is [1-(6-fluoro-1,3-benzothiazol-2-yl)piperidin-3-yl]-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone.

Molecular Properties

• Compound Name: [1-(6-fluoro-1,3-benzothiazol-2-yl)piperidin-3-yl]-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone
• PubChem CID: 90610343
• Molecular Formula: C23H23F4N5OS
• Molecular Weight: 493.53 g/mol
• Exact Mass: 493.16
• IUPAC Name: [1-(6-fluoro-1,3-benzothiazol-2-yl)piperidin-3-yl]-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone
• SMILES: O=C(C1CCCN(c2nc3ccc(F)cc3s2)C1)N1CCN(c2ccc(C(F)(F)F)cn2)CC1
• InChI: InChI=1S/C23H23F4N5OS/c24-17-4-5-18-19(12-17)34-22(29-18)32-7-1-2-15(14-32)21(33)31-10-8-30(9-11-31)20-6-3-16(13-28-20)23(25,26)27/h3-6,12-13,15H,1-2,7-11,14H2
• InChIKey: RDPNIQVGECVMTE-UHFFFAOYSA-N
• XLogP: 4.41
• TPSA: 52.57 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	493.53
LogP ≤ 5	4.41
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of [1-(6-fluoro-1,3-benzothiazol-2-yl)piperidin-3-yl]-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone?

The IUPAC name of [1-(6-fluoro-1,3-benzothiazol-2-yl)piperidin-3-yl]-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone (CID 90610343) is [1-(6-fluoro-1,3-benzothiazol-2-yl)piperidin-3-yl]-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone.

What is the SMILES notation for [1-(6-fluoro-1,3-benzothiazol-2-yl)piperidin-3-yl]-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone?

The canonical SMILES for [1-(6-fluoro-1,3-benzothiazol-2-yl)piperidin-3-yl]-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone is O=C(C1CCCN(c2nc3ccc(F)cc3s2)C1)N1CCN(c2ccc(C(F)(F)F)cn2)CC1.

What is the InChIKey of [1-(6-fluoro-1,3-benzothiazol-2-yl)piperidin-3-yl]-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone?

The InChIKey is RDPNIQVGECVMTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23F4N5OS/c24-17-4-5-18-19(12-17)34-22(29-18)32-7-1-2-15(14-32)21(33)31-10-8-30(9-11-31)20-6-3-16(13-28-20)23(25,26)27/h3-6,12-13,15H,1-2,7-11,14H2.

What are the key properties of [1-(6-fluoro-1,3-benzothiazol-2-yl)piperidin-3-yl]-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone?

[1-(6-fluoro-1,3-benzothiazol-2-yl)piperidin-3-yl]-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone has a molecular weight of 493.53 g/mol, XLogP of 4.41, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [1-(6-fluoro-1,3-benzothiazol-2-yl)piperidin-3-yl]-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone is sourced from PubChem (CID 90610343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).