N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-2-yl]methyl]-N-[6-(trifluoromethyl)-3-pyridinyl]ethanesulfonamide

C15H12F5N5O3S2 — CID 156525580

IUPACN-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-2-yl]methyl]-N-[6-(trifluoromethyl)-3-pyridinyl]ethanesulfonamide
SMILESCCS(=O)(=O)N(Cc1ncc(-c2nnc(C(F)F)o2)s1)c1ccc(C(F)(F)F)nc1
InChIInChI=1S/C15H12F5N5O3S2/c1-2-30(26,27)25(8-3-4-10(21-5-8)15(18,19)20)7-11-22-6-9(29-11)13-23-24-14(28-13)12(16)17/h3-6,12H,2,7H2,1H3
InChIKeyKBSDSIMLFSOXJK-UHFFFAOYSA-N
MW469.42 g/mol
LogP3.90
Rot. Bonds7

About N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-2-yl]methyl]-N-[6-(trifluoromethyl)-3-pyridinyl]ethanesulfonamide

N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-2-yl]methyl]-N-[6-(trifluoromethyl)-3-pyridinyl]ethanesulfonamide (PubChem CID 156525580) has the molecular formula C15H12F5N5O3S2 and a molecular weight of 469.42 g/mol. Its IUPAC name is N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-2-yl]methyl]-N-[6-(trifluoromethyl)-3-pyridinyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-2-yl]methyl]-N-[6-(trifluoromethyl)-3-pyridinyl]ethanesulfonamide
PubChem CID156525580
Molecular FormulaC15H12F5N5O3S2
Molecular Weight469.42 g/mol
Exact Mass469.03
IUPAC NameN-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-2-yl]methyl]-N-[6-(trifluoromethyl)-3-pyridinyl]ethanesulfonamide
SMILESCCS(=O)(=O)N(Cc1ncc(-c2nnc(C(F)F)o2)s1)c1ccc(C(F)(F)F)nc1
InChIInChI=1S/C15H12F5N5O3S2/c1-2-30(26,27)25(8-3-4-10(21-5-8)15(18,19)20)7-11-22-6-9(29-11)13-23-24-14(28-13)12(16)17/h3-6,12H,2,7H2,1H3
InChIKeyKBSDSIMLFSOXJK-UHFFFAOYSA-N
XLogP3.90
TPSA102.08 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.42
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-2-yl]methyl]-N-[6-(trifluoromethyl)-3-pyridinyl]ethanesulfonamide?
The IUPAC name of N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-2-yl]methyl]-N-[6-(trifluoromethyl)-3-pyridinyl]ethanesulfonamide (CID 156525580) is N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-2-yl]methyl]-N-[6-(trifluoromethyl)-3-pyridinyl]ethanesulfonamide.
What is the SMILES notation for N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-2-yl]methyl]-N-[6-(trifluoromethyl)-3-pyridinyl]ethanesulfonamide?
The canonical SMILES for N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-2-yl]methyl]-N-[6-(trifluoromethyl)-3-pyridinyl]ethanesulfonamide is CCS(=O)(=O)N(Cc1ncc(-c2nnc(C(F)F)o2)s1)c1ccc(C(F)(F)F)nc1.
What is the InChIKey of N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-2-yl]methyl]-N-[6-(trifluoromethyl)-3-pyridinyl]ethanesulfonamide?
The InChIKey is KBSDSIMLFSOXJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F5N5O3S2/c1-2-30(26,27)25(8-3-4-10(21-5-8)15(18,19)20)7-11-22-6-9(29-11)13-23-24-14(28-13)12(16)17/h3-6,12H,2,7H2,1H3.
What are the key properties of N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-2-yl]methyl]-N-[6-(trifluoromethyl)-3-pyridinyl]ethanesulfonamide?
N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-2-yl]methyl]-N-[6-(trifluoromethyl)-3-pyridinyl]ethanesulfonamide has a molecular weight of 469.42 g/mol, XLogP of 3.90, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-2-yl]methyl]-N-[6-(trifluoromethyl)-3-pyridinyl]ethanesulfonamide is sourced from PubChem (CID 156525580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).