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

C14H12F3N5O3S2 — CID 156507928

IUPACN-pyridin-3-yl-N-[[5-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-2-yl]methyl]ethanesulfonamide
SMILESCCS(=O)(=O)N(Cc1ncc(-c2nnc(C(F)(F)F)o2)s1)c1cccnc1
InChIInChI=1S/C14H12F3N5O3S2/c1-2-27(23,24)22(9-4-3-5-18-6-9)8-11-19-7-10(26-11)12-20-21-13(25-12)14(15,16)17/h3-7H,2,8H2,1H3
InChIKeyMBISLVJKONCPLY-UHFFFAOYSA-N
MW419.41 g/mol
LogP2.96
Rot. Bonds6

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

N-pyridin-3-yl-N-[[5-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-2-yl]methyl]ethanesulfonamide (PubChem CID 156507928) has the molecular formula C14H12F3N5O3S2 and a molecular weight of 419.41 g/mol. Its IUPAC name is N-pyridin-3-yl-N-[[5-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-2-yl]methyl]ethanesulfonamide.

Molecular Properties

Compound NameN-pyridin-3-yl-N-[[5-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-2-yl]methyl]ethanesulfonamide
PubChem CID156507928
Molecular FormulaC14H12F3N5O3S2
Molecular Weight419.41 g/mol
Exact Mass419.03
IUPAC NameN-pyridin-3-yl-N-[[5-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-2-yl]methyl]ethanesulfonamide
SMILESCCS(=O)(=O)N(Cc1ncc(-c2nnc(C(F)(F)F)o2)s1)c1cccnc1
InChIInChI=1S/C14H12F3N5O3S2/c1-2-27(23,24)22(9-4-3-5-18-6-9)8-11-19-7-10(26-11)12-20-21-13(25-12)14(15,16)17/h3-7H,2,8H2,1H3
InChIKeyMBISLVJKONCPLY-UHFFFAOYSA-N
XLogP2.96
TPSA102.08 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.41
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

N-(5-chloro-3-pyridinyl)-N-[[5-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-2-yl]methyl]propane-1-sulfonamide
CID 156526272
N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-2-yl]methyl]-N-[6-(trifluoromethyl)-3-pyridinyl]ethanesulfonamide
CID 156525580
N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-2-yl]methyl]-N-pyridin-3-ylbutane-2-sulfonamide
CID 156525607
N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-2-yl]methyl]-N-pyridazin-4-ylethanesulfonamide
CID 156525586
N-phenyl-N-[[5-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]ethanesulfonamide
CID 126506887
N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-2-yl]methyl]-N-[5-(trifluoromethoxy)-3-pyridinyl]ethanesulfonamide
CID 156507670
N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-2-yl]methyl]-N-[5-[(1R)-1-fluoroethyl]-3-pyridinyl]ethanesulfonamide
CID 156525458
N-[6-(difluoromethoxy)-3-pyridinyl]-N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-2-yl]methyl]ethanesulfonamide
CID 156525565
ethane;N-[[5-[5-(1-fluoroethyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-2-yl]methyl]-N-(5-fluoro-2-pyridinyl)ethanesulfonamide
CID 166091668
N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-2-yl]methyl]-N-[1-(2-methoxyethyl)pyrazol-4-yl]ethanesulfonamide
CID 156525990
N-cyclopropyl-N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-2-yl]methyl]ethanesulfonamide
CID 156526052
2-(1,1-difluoroethyl)-5-(2-ethyl-1,3-thiazol-5-yl)-1,3,4-oxadiazole;ethane
CID 156799457

Frequently Asked Questions

What is the IUPAC name of N-pyridin-3-yl-N-[[5-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-2-yl]methyl]ethanesulfonamide?
The IUPAC name of N-pyridin-3-yl-N-[[5-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-2-yl]methyl]ethanesulfonamide (CID 156507928) is N-pyridin-3-yl-N-[[5-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-2-yl]methyl]ethanesulfonamide.
What is the SMILES notation for N-pyridin-3-yl-N-[[5-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-2-yl]methyl]ethanesulfonamide?
The canonical SMILES for N-pyridin-3-yl-N-[[5-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-2-yl]methyl]ethanesulfonamide is CCS(=O)(=O)N(Cc1ncc(-c2nnc(C(F)(F)F)o2)s1)c1cccnc1.
What is the InChIKey of N-pyridin-3-yl-N-[[5-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-2-yl]methyl]ethanesulfonamide?
The InChIKey is MBISLVJKONCPLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F3N5O3S2/c1-2-27(23,24)22(9-4-3-5-18-6-9)8-11-19-7-10(26-11)12-20-21-13(25-12)14(15,16)17/h3-7H,2,8H2,1H3.
What are the key properties of N-pyridin-3-yl-N-[[5-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-2-yl]methyl]ethanesulfonamide?
N-pyridin-3-yl-N-[[5-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-2-yl]methyl]ethanesulfonamide has a molecular weight of 419.41 g/mol, XLogP of 2.96, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-pyridin-3-yl-N-[[5-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-2-yl]methyl]ethanesulfonamide is sourced from PubChem (CID 156507928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).