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

C12H14F2N4O3S2 — CID 156526052

IUPACN-cyclopropyl-N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-2-yl]methyl]ethanesulfonamide
SMILESCCS(=O)(=O)N(Cc1ncc(-c2nnc(C(F)F)o2)s1)C1CC1
InChIInChI=1S/C12H14F2N4O3S2/c1-2-23(19,20)18(7-3-4-7)6-9-15-5-8(22-9)11-16-17-12(21-11)10(13)14/h5,7,10H,2-4,6H2,1H3
InChIKeyZJZPMCAEZDCEAU-UHFFFAOYSA-N
MW364.40 g/mol
LogP2.44
Rot. Bonds7

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

N-cyclopropyl-N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-2-yl]methyl]ethanesulfonamide (PubChem CID 156526052) has the molecular formula C12H14F2N4O3S2 and a molecular weight of 364.40 g/mol. Its IUPAC name is N-cyclopropyl-N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-2-yl]methyl]ethanesulfonamide.

Molecular Properties

Compound NameN-cyclopropyl-N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-2-yl]methyl]ethanesulfonamide
PubChem CID156526052
Molecular FormulaC12H14F2N4O3S2
Molecular Weight364.40 g/mol
Exact Mass364.05
IUPAC NameN-cyclopropyl-N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-2-yl]methyl]ethanesulfonamide
SMILESCCS(=O)(=O)N(Cc1ncc(-c2nnc(C(F)F)o2)s1)C1CC1
InChIInChI=1S/C12H14F2N4O3S2/c1-2-23(19,20)18(7-3-4-7)6-9-15-5-8(22-9)11-16-17-12(21-11)10(13)14/h5,7,10H,2-4,6H2,1H3
InChIKeyZJZPMCAEZDCEAU-UHFFFAOYSA-N
XLogP2.44
TPSA89.19 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.40
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-2-yl]methyl]-N-pyridazin-4-ylethanesulfonamide
CID 156525586
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-[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
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-[2-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-2-pyridinyl]-N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-2-yl]methyl]ethanesulfonamide
CID 165176652
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-chloro-2-pyridinyl)-N-[[5-[5-(1-fluoroethyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-2-yl]methyl]propane-1-sulfonamide
CID 170424753
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
2-(2-ethyl-1,3-thiazol-5-yl)-5-(1-fluoroethyl)-1,3,4-oxadiazole
CID 156526320
N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-2-yl]methyl]-N-[5-(trifluoromethyl)-3-pyridinyl]thiohydroxylamine
CID 166091705
N-cyclopropyl-N-(1,3-thiazol-2-ylmethyl)ethanesulfonamide
CID 110715903

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-2-yl]methyl]ethanesulfonamide?
The IUPAC name of N-cyclopropyl-N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-2-yl]methyl]ethanesulfonamide (CID 156526052) is N-cyclopropyl-N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-2-yl]methyl]ethanesulfonamide.
What is the SMILES notation for N-cyclopropyl-N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-2-yl]methyl]ethanesulfonamide?
The canonical SMILES for N-cyclopropyl-N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-2-yl]methyl]ethanesulfonamide is CCS(=O)(=O)N(Cc1ncc(-c2nnc(C(F)F)o2)s1)C1CC1.
What is the InChIKey of N-cyclopropyl-N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-2-yl]methyl]ethanesulfonamide?
The InChIKey is ZJZPMCAEZDCEAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F2N4O3S2/c1-2-23(19,20)18(7-3-4-7)6-9-15-5-8(22-9)11-16-17-12(21-11)10(13)14/h5,7,10H,2-4,6H2,1H3.
What are the key properties of N-cyclopropyl-N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-2-yl]methyl]ethanesulfonamide?
N-cyclopropyl-N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-2-yl]methyl]ethanesulfonamide has a molecular weight of 364.40 g/mol, XLogP of 2.44, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-2-yl]methyl]ethanesulfonamide is sourced from PubChem (CID 156526052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).