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

C13H12F2N6O3S2 — CID 156525586

IUPACN-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-2-yl]methyl]-N-pyridazin-4-ylethanesulfonamide
SMILESCCS(=O)(=O)N(Cc1ncc(-c2nnc(C(F)F)o2)s1)c1ccnnc1
InChIInChI=1S/C13H12F2N6O3S2/c1-2-26(22,23)21(8-3-4-17-18-5-8)7-10-16-6-9(25-10)12-19-20-13(24-12)11(14)15/h3-6,11H,2,7H2,1H3
InChIKeyMIYAHDTYHZZIQF-UHFFFAOYSA-N
MW402.41 g/mol
LogP2.28
Rot. Bonds7

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

N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-2-yl]methyl]-N-pyridazin-4-ylethanesulfonamide (PubChem CID 156525586) has the molecular formula C13H12F2N6O3S2 and a molecular weight of 402.41 g/mol. Its IUPAC name is N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-2-yl]methyl]-N-pyridazin-4-ylethanesulfonamide.

Molecular Properties

Compound NameN-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-2-yl]methyl]-N-pyridazin-4-ylethanesulfonamide
PubChem CID156525586
Molecular FormulaC13H12F2N6O3S2
Molecular Weight402.41 g/mol
Exact Mass402.04
IUPAC NameN-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-2-yl]methyl]-N-pyridazin-4-ylethanesulfonamide
SMILESCCS(=O)(=O)N(Cc1ncc(-c2nnc(C(F)F)o2)s1)c1ccnnc1
InChIInChI=1S/C13H12F2N6O3S2/c1-2-26(22,23)21(8-3-4-17-18-5-8)7-10-16-6-9(25-10)12-19-20-13(24-12)11(14)15/h3-6,11H,2,7H2,1H3
InChIKeyMIYAHDTYHZZIQF-UHFFFAOYSA-N
XLogP2.28
TPSA114.97 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.41
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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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-pyridazin-4-ylethanesulfonamide?
The IUPAC name of N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-2-yl]methyl]-N-pyridazin-4-ylethanesulfonamide (CID 156525586) is N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-2-yl]methyl]-N-pyridazin-4-ylethanesulfonamide.
What is the SMILES notation for N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-2-yl]methyl]-N-pyridazin-4-ylethanesulfonamide?
The canonical SMILES for N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-2-yl]methyl]-N-pyridazin-4-ylethanesulfonamide is CCS(=O)(=O)N(Cc1ncc(-c2nnc(C(F)F)o2)s1)c1ccnnc1.
What is the InChIKey of N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-2-yl]methyl]-N-pyridazin-4-ylethanesulfonamide?
The InChIKey is MIYAHDTYHZZIQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F2N6O3S2/c1-2-26(22,23)21(8-3-4-17-18-5-8)7-10-16-6-9(25-10)12-19-20-13(24-12)11(14)15/h3-6,11H,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-pyridazin-4-ylethanesulfonamide?
N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-2-yl]methyl]-N-pyridazin-4-ylethanesulfonamide has a molecular weight of 402.41 g/mol, XLogP of 2.28, 7 rotatable bonds, 0 hydrogen bond donors, and 9 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-pyridazin-4-ylethanesulfonamide is sourced from PubChem (CID 156525586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).