2-(1,1-difluoroethyl)-5-(2-ethyl-1,3-thiazol-5-yl)-1,3,4-oxadiazole;ethane

C11H15F2N3OS — CID 156799457

IUPAC2-(1,1-difluoroethyl)-5-(2-ethyl-1,3-thiazol-5-yl)-1,3,4-oxadiazole;ethane
SMILESCC.CCc1ncc(-c2nnc(C(C)(F)F)o2)s1
InChIInChI=1S/C9H9F2N3OS.C2H6/c1-3-6-12-4-5(16-6)7-13-14-8(15-7)9(2,10)11;1-2/h4H,3H2,1-2H3;1-2H3
InChIKeyRGABWMBWKYHEHZ-UHFFFAOYSA-N
MW275.32 g/mol
LogP3.89
Rot. Bonds3

About 2-(1,1-difluoroethyl)-5-(2-ethyl-1,3-thiazol-5-yl)-1,3,4-oxadiazole;ethane

2-(1,1-difluoroethyl)-5-(2-ethyl-1,3-thiazol-5-yl)-1,3,4-oxadiazole;ethane (PubChem CID 156799457) has the molecular formula C11H15F2N3OS and a molecular weight of 275.32 g/mol. Its IUPAC name is 2-(1,1-difluoroethyl)-5-(2-ethyl-1,3-thiazol-5-yl)-1,3,4-oxadiazole;ethane.

Molecular Properties

Compound Name2-(1,1-difluoroethyl)-5-(2-ethyl-1,3-thiazol-5-yl)-1,3,4-oxadiazole;ethane
PubChem CID156799457
Molecular FormulaC11H15F2N3OS
Molecular Weight275.32 g/mol
Exact Mass275.09
IUPAC Name2-(1,1-difluoroethyl)-5-(2-ethyl-1,3-thiazol-5-yl)-1,3,4-oxadiazole;ethane
SMILESCC.CCc1ncc(-c2nnc(C(C)(F)F)o2)s1
InChIInChI=1S/C9H9F2N3OS.C2H6/c1-3-6-12-4-5(16-6)7-13-14-8(15-7)9(2,10)11;1-2/h4H,3H2,1-2H3;1-2H3
InChIKeyRGABWMBWKYHEHZ-UHFFFAOYSA-N
XLogP3.89
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.32
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(1,1-difluoroethyl)-5-(2-ethyl-1,3-thiazol-5-yl)-1,3,4-oxadiazole;ethane?
The IUPAC name of 2-(1,1-difluoroethyl)-5-(2-ethyl-1,3-thiazol-5-yl)-1,3,4-oxadiazole;ethane (CID 156799457) is 2-(1,1-difluoroethyl)-5-(2-ethyl-1,3-thiazol-5-yl)-1,3,4-oxadiazole;ethane.
What is the SMILES notation for 2-(1,1-difluoroethyl)-5-(2-ethyl-1,3-thiazol-5-yl)-1,3,4-oxadiazole;ethane?
The canonical SMILES for 2-(1,1-difluoroethyl)-5-(2-ethyl-1,3-thiazol-5-yl)-1,3,4-oxadiazole;ethane is CC.CCc1ncc(-c2nnc(C(C)(F)F)o2)s1.
What is the InChIKey of 2-(1,1-difluoroethyl)-5-(2-ethyl-1,3-thiazol-5-yl)-1,3,4-oxadiazole;ethane?
The InChIKey is RGABWMBWKYHEHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F2N3OS.C2H6/c1-3-6-12-4-5(16-6)7-13-14-8(15-7)9(2,10)11;1-2/h4H,3H2,1-2H3;1-2H3.
What are the key properties of 2-(1,1-difluoroethyl)-5-(2-ethyl-1,3-thiazol-5-yl)-1,3,4-oxadiazole;ethane?
2-(1,1-difluoroethyl)-5-(2-ethyl-1,3-thiazol-5-yl)-1,3,4-oxadiazole;ethane has a molecular weight of 275.32 g/mol, XLogP of 3.89, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1-difluoroethyl)-5-(2-ethyl-1,3-thiazol-5-yl)-1,3,4-oxadiazole;ethane is sourced from PubChem (CID 156799457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).