1-[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-2-yl]-N-[5-(difluoromethyl)-3-pyridinyl]propane-2-sulfonamide

C15H13F4N5O3S2 — CID 175814754

IUPAC1-[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-2-yl]-N-[5-(difluoromethyl)-3-pyridinyl]propane-2-sulfonamide
SMILESCC(Cc1ncc(-c2nnc(C(F)F)o2)s1)S(=O)(=O)Nc1cncc(C(F)F)c1
InChIInChI=1S/C15H13F4N5O3S2/c1-7(29(25,26)24-9-3-8(12(16)17)4-20-5-9)2-11-21-6-10(28-11)14-22-23-15(27-14)13(18)19/h3-7,12-13,24H,2H2,1H3
InChIKeyPESZTRWLTKAGRU-UHFFFAOYSA-N
MW451.43 g/mol
LogP3.84
Rot. Bonds8

About 1-[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-2-yl]-N-[5-(difluoromethyl)-3-pyridinyl]propane-2-sulfonamide

1-[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-2-yl]-N-[5-(difluoromethyl)-3-pyridinyl]propane-2-sulfonamide (PubChem CID 175814754) has the molecular formula C15H13F4N5O3S2 and a molecular weight of 451.43 g/mol. Its IUPAC name is 1-[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-2-yl]-N-[5-(difluoromethyl)-3-pyridinyl]propane-2-sulfonamide.

Molecular Properties

Compound Name1-[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-2-yl]-N-[5-(difluoromethyl)-3-pyridinyl]propane-2-sulfonamide
PubChem CID175814754
Molecular FormulaC15H13F4N5O3S2
Molecular Weight451.43 g/mol
Exact Mass451.04
IUPAC Name1-[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-2-yl]-N-[5-(difluoromethyl)-3-pyridinyl]propane-2-sulfonamide
SMILESCC(Cc1ncc(-c2nnc(C(F)F)o2)s1)S(=O)(=O)Nc1cncc(C(F)F)c1
InChIInChI=1S/C15H13F4N5O3S2/c1-7(29(25,26)24-9-3-8(12(16)17)4-20-5-9)2-11-21-6-10(28-11)14-22-23-15(27-14)13(18)19/h3-7,12-13,24H,2H2,1H3
InChIKeyPESZTRWLTKAGRU-UHFFFAOYSA-N
XLogP3.84
TPSA110.87 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.43
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-2-yl]-N-[5-(difluoromethyl)-3-pyridinyl]propane-2-sulfonamide?
The IUPAC name of 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) is 1-[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-2-yl]-N-[5-(difluoromethyl)-3-pyridinyl]propane-2-sulfonamide.
What is the SMILES notation for 1-[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-2-yl]-N-[5-(difluoromethyl)-3-pyridinyl]propane-2-sulfonamide?
The canonical SMILES for 1-[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-2-yl]-N-[5-(difluoromethyl)-3-pyridinyl]propane-2-sulfonamide is CC(Cc1ncc(-c2nnc(C(F)F)o2)s1)S(=O)(=O)Nc1cncc(C(F)F)c1.
What is the InChIKey of 1-[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-2-yl]-N-[5-(difluoromethyl)-3-pyridinyl]propane-2-sulfonamide?
The InChIKey is PESZTRWLTKAGRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F4N5O3S2/c1-7(29(25,26)24-9-3-8(12(16)17)4-20-5-9)2-11-21-6-10(28-11)14-22-23-15(27-14)13(18)19/h3-7,12-13,24H,2H2,1H3.
What are the key properties of 1-[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-2-yl]-N-[5-(difluoromethyl)-3-pyridinyl]propane-2-sulfonamide?
1-[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-2-yl]-N-[5-(difluoromethyl)-3-pyridinyl]propane-2-sulfonamide has a molecular weight of 451.43 g/mol, XLogP of 3.84, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-2-yl]-N-[5-(difluoromethyl)-3-pyridinyl]propane-2-sulfonamide is sourced from PubChem (CID 175814754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).