N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-2-yl]methyl]-N-pyridin-3-ylbutane-2-sulfonamide

C16H17F2N5O3S2 — CID 156525607

IUPACN-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-2-yl]methyl]-N-pyridin-3-ylbutane-2-sulfonamide
SMILESCCC(C)S(=O)(=O)N(Cc1ncc(-c2nnc(C(F)F)o2)s1)c1cccnc1
InChIInChI=1S/C16H17F2N5O3S2/c1-3-10(2)28(24,25)23(11-5-4-6-19-7-11)9-13-20-8-12(27-13)15-21-22-16(26-15)14(17)18/h4-8,10,14H,3,9H2,1-2H3
InChIKeyFZAYMBCMYGCFCY-UHFFFAOYSA-N
MW429.47 g/mol
LogP3.66
Rot. Bonds8

About N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-2-yl]methyl]-N-pyridin-3-ylbutane-2-sulfonamide

N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-2-yl]methyl]-N-pyridin-3-ylbutane-2-sulfonamide (PubChem CID 156525607) has the molecular formula C16H17F2N5O3S2 and a molecular weight of 429.47 g/mol. Its IUPAC name is N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-2-yl]methyl]-N-pyridin-3-ylbutane-2-sulfonamide.

Molecular Properties

Compound NameN-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-2-yl]methyl]-N-pyridin-3-ylbutane-2-sulfonamide
PubChem CID156525607
Molecular FormulaC16H17F2N5O3S2
Molecular Weight429.47 g/mol
Exact Mass429.07
IUPAC NameN-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-2-yl]methyl]-N-pyridin-3-ylbutane-2-sulfonamide
SMILESCCC(C)S(=O)(=O)N(Cc1ncc(-c2nnc(C(F)F)o2)s1)c1cccnc1
InChIInChI=1S/C16H17F2N5O3S2/c1-3-10(2)28(24,25)23(11-5-4-6-19-7-11)9-13-20-8-12(27-13)15-21-22-16(26-15)14(17)18/h4-8,10,14H,3,9H2,1-2H3
InChIKeyFZAYMBCMYGCFCY-UHFFFAOYSA-N
XLogP3.66
TPSA102.08 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.47
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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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-[5-[(1R)-1-fluoroethyl]-3-pyridinyl]ethanesulfonamide
CID 156525458
N-pyridin-3-yl-N-[[5-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-2-yl]methyl]ethanesulfonamide
CID 156507928
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-[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-cyclopropyl-N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-2-yl]methyl]ethanesulfonamide
CID 156526052
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
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-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
4-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-2-yl]methyl]-2,2-dimethylpyrido[3,2-b][1,4]oxazin-3-one
CID 156507731
1-[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-2-yl]-N-[5-(difluoromethyl)-3-pyridinyl]propane-2-sulfonamide
CID 175814754

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-pyridin-3-ylbutane-2-sulfonamide?
The IUPAC name of N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-2-yl]methyl]-N-pyridin-3-ylbutane-2-sulfonamide (CID 156525607) is N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-2-yl]methyl]-N-pyridin-3-ylbutane-2-sulfonamide.
What is the SMILES notation for N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-2-yl]methyl]-N-pyridin-3-ylbutane-2-sulfonamide?
The canonical SMILES for N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-2-yl]methyl]-N-pyridin-3-ylbutane-2-sulfonamide is CCC(C)S(=O)(=O)N(Cc1ncc(-c2nnc(C(F)F)o2)s1)c1cccnc1.
What is the InChIKey of N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-2-yl]methyl]-N-pyridin-3-ylbutane-2-sulfonamide?
The InChIKey is FZAYMBCMYGCFCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F2N5O3S2/c1-3-10(2)28(24,25)23(11-5-4-6-19-7-11)9-13-20-8-12(27-13)15-21-22-16(26-15)14(17)18/h4-8,10,14H,3,9H2,1-2H3.
What are the key properties of N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-2-yl]methyl]-N-pyridin-3-ylbutane-2-sulfonamide?
N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-2-yl]methyl]-N-pyridin-3-ylbutane-2-sulfonamide has a molecular weight of 429.47 g/mol, XLogP of 3.66, 8 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-pyridin-3-ylbutane-2-sulfonamide is sourced from PubChem (CID 156525607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).