2-chloro-N-[2-[4-(difluoromethyl)-1,3-thiazol-5-yl]-2-(4-pyridin-3-yloxypiperidin-1-yl)ethyl]-6-fluorobenzamide

C23H22ClF3N4O2S — CID 164517848

IUPAC2-chloro-N-[2-[4-(difluoromethyl)-1,3-thiazol-5-yl]-2-(4-pyridin-3-yloxypiperidin-1-yl)ethyl]-6-fluorobenzamide
SMILESO=C(NCC(c1scnc1C(F)F)N1CCC(Oc2cccnc2)CC1)c1c(F)cccc1Cl
InChIInChI=1S/C23H22ClF3N4O2S/c24-16-4-1-5-17(25)19(16)23(32)29-12-18(21-20(22(26)27)30-13-34-21)31-9-6-14(7-10-31)33-15-3-2-8-28-11-15/h1-5,8,11,13-14,18,22H,6-7,9-10,12H2,(H,29,32)
InChIKeyXJEVNJMNQFZYIQ-UHFFFAOYSA-N
MW510.97 g/mol
LogP5.28
Rot. Bonds8

About 2-chloro-N-[2-[4-(difluoromethyl)-1,3-thiazol-5-yl]-2-(4-pyridin-3-yloxypiperidin-1-yl)ethyl]-6-fluorobenzamide

2-chloro-N-[2-[4-(difluoromethyl)-1,3-thiazol-5-yl]-2-(4-pyridin-3-yloxypiperidin-1-yl)ethyl]-6-fluorobenzamide (PubChem CID 164517848) has the molecular formula C23H22ClF3N4O2S and a molecular weight of 510.97 g/mol. Its IUPAC name is 2-chloro-N-[2-[4-(difluoromethyl)-1,3-thiazol-5-yl]-2-(4-pyridin-3-yloxypiperidin-1-yl)ethyl]-6-fluorobenzamide.

Molecular Properties

Compound Name2-chloro-N-[2-[4-(difluoromethyl)-1,3-thiazol-5-yl]-2-(4-pyridin-3-yloxypiperidin-1-yl)ethyl]-6-fluorobenzamide
PubChem CID164517848
Molecular FormulaC23H22ClF3N4O2S
Molecular Weight510.97 g/mol
Exact Mass510.11
IUPAC Name2-chloro-N-[2-[4-(difluoromethyl)-1,3-thiazol-5-yl]-2-(4-pyridin-3-yloxypiperidin-1-yl)ethyl]-6-fluorobenzamide
SMILESO=C(NCC(c1scnc1C(F)F)N1CCC(Oc2cccnc2)CC1)c1c(F)cccc1Cl
InChIInChI=1S/C23H22ClF3N4O2S/c24-16-4-1-5-17(25)19(16)23(32)29-12-18(21-20(22(26)27)30-13-34-21)31-9-6-14(7-10-31)33-15-3-2-8-28-11-15/h1-5,8,11,13-14,18,22H,6-7,9-10,12H2,(H,29,32)
InChIKeyXJEVNJMNQFZYIQ-UHFFFAOYSA-N
XLogP5.28
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.97
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-chloro-N-[2-[4-[(6-chloro-2-pyridinyl)oxy]piperidin-1-yl]-2-[4-(difluoromethyl)-1,3-thiazol-5-yl]ethyl]-6-fluorobenzamide
CID 164517813
2-chloro-N-[2-[4-(difluoromethyl)-1,3-thiazol-5-yl]-2-[4-[(3-methyl-2-pyridinyl)oxy]piperidin-1-yl]ethyl]-6-fluorobenzamide
CID 164517820
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
2-chloro-N-[2-[4-(difluoromethyl)-1,3-thiazol-5-yl]-2-[4-(2-fluoro-6-methylpyrimidin-4-yl)oxypiperidin-1-yl]ethyl]-6-fluorobenzamide
CID 164517866
N-[2-[4-(1,3-benzoxazol-2-yloxy)piperidin-1-yl]-2-[4-(difluoromethyl)-1,3-thiazol-5-yl]ethyl]-2-chloro-6-fluorobenzamide
CID 164517801
2-chloro-N-[2-[4-[(3-cyanopyrazin-2-yl)oxymethyl]piperidin-1-yl]-2-[4-(difluoromethyl)-1,3-thiazol-5-yl]ethyl]-6-fluorobenzamide
CID 164517861
N-[2-[4-(4-chlorophenoxy)piperidin-1-yl]-2-[4-(difluoromethyl)-1,3-thiazol-5-yl]ethyl]quinoline-5-carboxamide
CID 134303629
2-chloro-N-[2-[4-(difluoromethyl)-1,3-thiazol-5-yl]-2-[4-[(6-methylpyridazin-3-yl)oxymethyl]piperidin-1-yl]ethyl]-6-fluorobenzamide
CID 164517874
2-chloro-N-[2-[4-(difluoromethyl)-1,3-thiazol-5-yl]-2-[4-([1,2,4]triazolo[4,3-a]pyrazin-5-yloxymethyl)piperidin-1-yl]ethyl]-6-fluorobenzamide
CID 164517794
N-[2-[4-(difluoromethyl)-1,3-thiazol-5-yl]-2-[4-(3,5-difluorophenoxy)piperidin-1-yl]ethyl]quinoline-5-carboxamide
CID 134303530
N-[(E)-1-[[1-[2-[(2-chloro-6-fluorobenzoyl)amino]-1-[4-(difluoromethyl)-1,3-thiazol-5-yl]ethyl]piperidin-4-yl]methoxy]-2-(methylideneamino)ethenyl]ethanimidoyl fluoride
CID 174013635
2-chloro-N-[2-[4-(3-cyanopyrazin-2-yl)oxypiperidin-1-yl]-2-[4-(difluoromethyl)-2,3-dihydro-1,3-thiazol-5-yl]ethyl]-6-fluorobenzamide
CID 167114550

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-[4-(difluoromethyl)-1,3-thiazol-5-yl]-2-(4-pyridin-3-yloxypiperidin-1-yl)ethyl]-6-fluorobenzamide?
The IUPAC name of 2-chloro-N-[2-[4-(difluoromethyl)-1,3-thiazol-5-yl]-2-(4-pyridin-3-yloxypiperidin-1-yl)ethyl]-6-fluorobenzamide (CID 164517848) is 2-chloro-N-[2-[4-(difluoromethyl)-1,3-thiazol-5-yl]-2-(4-pyridin-3-yloxypiperidin-1-yl)ethyl]-6-fluorobenzamide.
What is the SMILES notation for 2-chloro-N-[2-[4-(difluoromethyl)-1,3-thiazol-5-yl]-2-(4-pyridin-3-yloxypiperidin-1-yl)ethyl]-6-fluorobenzamide?
The canonical SMILES for 2-chloro-N-[2-[4-(difluoromethyl)-1,3-thiazol-5-yl]-2-(4-pyridin-3-yloxypiperidin-1-yl)ethyl]-6-fluorobenzamide is O=C(NCC(c1scnc1C(F)F)N1CCC(Oc2cccnc2)CC1)c1c(F)cccc1Cl.
What is the InChIKey of 2-chloro-N-[2-[4-(difluoromethyl)-1,3-thiazol-5-yl]-2-(4-pyridin-3-yloxypiperidin-1-yl)ethyl]-6-fluorobenzamide?
The InChIKey is XJEVNJMNQFZYIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22ClF3N4O2S/c24-16-4-1-5-17(25)19(16)23(32)29-12-18(21-20(22(26)27)30-13-34-21)31-9-6-14(7-10-31)33-15-3-2-8-28-11-15/h1-5,8,11,13-14,18,22H,6-7,9-10,12H2,(H,29,32).
What are the key properties of 2-chloro-N-[2-[4-(difluoromethyl)-1,3-thiazol-5-yl]-2-(4-pyridin-3-yloxypiperidin-1-yl)ethyl]-6-fluorobenzamide?
2-chloro-N-[2-[4-(difluoromethyl)-1,3-thiazol-5-yl]-2-(4-pyridin-3-yloxypiperidin-1-yl)ethyl]-6-fluorobenzamide has a molecular weight of 510.97 g/mol, XLogP of 5.28, 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-pyridin-3-yloxypiperidin-1-yl)ethyl]-6-fluorobenzamide is sourced from PubChem (CID 164517848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).