2-chloro-N-[2-[4-(difluoromethyl)-1,3-thiazol-5-yl]-2-[4-[[2-(trifluoromethyl)-4-pyridinyl]oxy]piperidin-1-yl]ethyl]-6-fluorobenzamide

C24H21ClF6N4O2S — CID 164517833

About 2-chloro-N-[2-[4-(difluoromethyl)-1,3-thiazol-5-yl]-2-[4-[[2-(trifluoromethyl)-4-pyridinyl]oxy]piperidin-1-yl]ethyl]-6-fluorobenzamide

2-chloro-N-[2-[4-(difluoromethyl)-1,3-thiazol-5-yl]-2-[4-[[2-(trifluoromethyl)-4-pyridinyl]oxy]piperidin-1-yl]ethyl]-6-fluorobenzamide (PubChem CID 164517833) has the molecular formula C24H21ClF6N4O2S and a molecular weight of 578.97 g/mol. Its IUPAC name is 2-chloro-N-[2-[4-(difluoromethyl)-1,3-thiazol-5-yl]-2-[4-[[2-(trifluoromethyl)-4-pyridinyl]oxy]piperidin-1-yl]ethyl]-6-fluorobenzamide.

Molecular Properties

• Compound Name: 2-chloro-N-[2-[4-(difluoromethyl)-1,3-thiazol-5-yl]-2-[4-[[2-(trifluoromethyl)-4-pyridinyl]oxy]piperidin-1-yl]ethyl]-6-fluorobenzamide
• PubChem CID: 164517833
• Molecular Formula: C24H21ClF6N4O2S
• Molecular Weight: 578.97 g/mol
• Exact Mass: 578.10
• IUPAC Name: 2-chloro-N-[2-[4-(difluoromethyl)-1,3-thiazol-5-yl]-2-[4-[[2-(trifluoromethyl)-4-pyridinyl]oxy]piperidin-1-yl]ethyl]-6-fluorobenzamide
• SMILES: O=C(NCC(c1scnc1C(F)F)N1CCC(Oc2ccnc(C(F)(F)F)c2)CC1)c1c(F)cccc1Cl
• InChI: InChI=1S/C24H21ClF6N4O2S/c25-15-2-1-3-16(26)19(15)23(36)33-11-17(21-20(22(27)28)34-12-38-21)35-8-5-13(6-9-35)37-14-4-7-32-18(10-14)24(29,30)31/h1-4,7,10,12-13,17,22H,5-6,8-9,11H2,(H,33,36)
• InChIKey: BVERWJDFAMUYFI-UHFFFAOYSA-N
• XLogP: 6.30
• TPSA: 67.35 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	578.97
LogP ≤ 5	6.30
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-[4-(difluoromethyl)-1,3-thiazol-5-yl]-2-[4-[[2-(trifluoromethyl)-4-pyridinyl]oxy]piperidin-1-yl]ethyl]-6-fluorobenzamide?

The IUPAC name of 2-chloro-N-[2-[4-(difluoromethyl)-1,3-thiazol-5-yl]-2-[4-[[2-(trifluoromethyl)-4-pyridinyl]oxy]piperidin-1-yl]ethyl]-6-fluorobenzamide (CID 164517833) is 2-chloro-N-[2-[4-(difluoromethyl)-1,3-thiazol-5-yl]-2-[4-[[2-(trifluoromethyl)-4-pyridinyl]oxy]piperidin-1-yl]ethyl]-6-fluorobenzamide.

What is the SMILES notation for 2-chloro-N-[2-[4-(difluoromethyl)-1,3-thiazol-5-yl]-2-[4-[[2-(trifluoromethyl)-4-pyridinyl]oxy]piperidin-1-yl]ethyl]-6-fluorobenzamide?

The canonical SMILES for 2-chloro-N-[2-[4-(difluoromethyl)-1,3-thiazol-5-yl]-2-[4-[[2-(trifluoromethyl)-4-pyridinyl]oxy]piperidin-1-yl]ethyl]-6-fluorobenzamide is O=C(NCC(c1scnc1C(F)F)N1CCC(Oc2ccnc(C(F)(F)F)c2)CC1)c1c(F)cccc1Cl.

What is the InChIKey of 2-chloro-N-[2-[4-(difluoromethyl)-1,3-thiazol-5-yl]-2-[4-[[2-(trifluoromethyl)-4-pyridinyl]oxy]piperidin-1-yl]ethyl]-6-fluorobenzamide?

The InChIKey is BVERWJDFAMUYFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21ClF6N4O2S/c25-15-2-1-3-16(26)19(15)23(36)33-11-17(21-20(22(27)28)34-12-38-21)35-8-5-13(6-9-35)37-14-4-7-32-18(10-14)24(29,30)31/h1-4,7,10,12-13,17,22H,5-6,8-9,11H2,(H,33,36).

What are the key properties of 2-chloro-N-[2-[4-(difluoromethyl)-1,3-thiazol-5-yl]-2-[4-[[2-(trifluoromethyl)-4-pyridinyl]oxy]piperidin-1-yl]ethyl]-6-fluorobenzamide?

2-chloro-N-[2-[4-(difluoromethyl)-1,3-thiazol-5-yl]-2-[4-[[2-(trifluoromethyl)-4-pyridinyl]oxy]piperidin-1-yl]ethyl]-6-fluorobenzamide has a molecular weight of 578.97 g/mol, XLogP of 6.30, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-N-[2-[4-(difluoromethyl)-1,3-thiazol-5-yl]-2-[4-[[2-(trifluoromethyl)-4-pyridinyl]oxy]piperidin-1-yl]ethyl]-6-fluorobenzamide is sourced from PubChem (CID 164517833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).