[3-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperidin-1-yl]-[3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methanone

C24H18F4N4O2S — CID 53327882

IUPAC[3-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperidin-1-yl]-[3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methanone
SMILESO=C(c1cccc(-c2noc(C(F)(F)F)n2)c1)N1CCCC(c2nc(-c3ccc(F)cc3)cs2)C1
InChIInChI=1S/C24H18F4N4O2S/c25-18-8-6-14(7-9-18)19-13-35-21(29-19)17-5-2-10-32(12-17)22(33)16-4-1-3-15(11-16)20-30-23(34-31-20)24(26,27)28/h1,3-4,6-9,11,13,17H,2,5,10,12H2
InChIKeyGYSMFAFZGGDXOX-UHFFFAOYSA-N
MW502.49 g/mol
LogP6.04
Rot. Bonds4

About [3-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperidin-1-yl]-[3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methanone

[3-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperidin-1-yl]-[3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methanone (PubChem CID 53327882) has the molecular formula C24H18F4N4O2S and a molecular weight of 502.49 g/mol. Its IUPAC name is [3-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperidin-1-yl]-[3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methanone.

Molecular Properties

Compound Name[3-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperidin-1-yl]-[3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methanone
PubChem CID53327882
Molecular FormulaC24H18F4N4O2S
Molecular Weight502.49 g/mol
Exact Mass502.11
IUPAC Name[3-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperidin-1-yl]-[3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methanone
SMILESO=C(c1cccc(-c2noc(C(F)(F)F)n2)c1)N1CCCC(c2nc(-c3ccc(F)cc3)cs2)C1
InChIInChI=1S/C24H18F4N4O2S/c25-18-8-6-14(7-9-18)19-13-35-21(29-19)17-5-2-10-32(12-17)22(33)16-4-1-3-15(11-16)20-30-23(34-31-20)24(26,27)28/h1,3-4,6-9,11,13,17H,2,5,10,12H2
InChIKeyGYSMFAFZGGDXOX-UHFFFAOYSA-N
XLogP6.04
TPSA72.12 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500502.49
LogP ≤ 56.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [3-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperidin-1-yl]-[3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methanone?
The IUPAC name of [3-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperidin-1-yl]-[3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methanone (CID 53327882) is [3-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperidin-1-yl]-[3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methanone.
What is the SMILES notation for [3-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperidin-1-yl]-[3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methanone?
The canonical SMILES for [3-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperidin-1-yl]-[3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methanone is O=C(c1cccc(-c2noc(C(F)(F)F)n2)c1)N1CCCC(c2nc(-c3ccc(F)cc3)cs2)C1.
What is the InChIKey of [3-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperidin-1-yl]-[3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methanone?
The InChIKey is GYSMFAFZGGDXOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18F4N4O2S/c25-18-8-6-14(7-9-18)19-13-35-21(29-19)17-5-2-10-32(12-17)22(33)16-4-1-3-15(11-16)20-30-23(34-31-20)24(26,27)28/h1,3-4,6-9,11,13,17H,2,5,10,12H2.
What are the key properties of [3-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperidin-1-yl]-[3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methanone?
[3-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperidin-1-yl]-[3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methanone has a molecular weight of 502.49 g/mol, XLogP of 6.04, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperidin-1-yl]-[3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methanone is sourced from PubChem (CID 53327882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).