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

C11H18FN3OS — CID 156799478

IUPACethane;2-(2-ethyl-1,3-thiazol-5-yl)-5-(1-fluoroethyl)-2,3-dihydro-1,3,4-oxadiazole
SMILESCC.CCc1ncc(C2NN=C(C(C)F)O2)s1
InChIInChI=1S/C9H12FN3OS.C2H6/c1-3-7-11-4-6(15-7)9-13-12-8(14-9)5(2)10;1-2/h4-5,9,13H,3H2,1-2H3;1-2H3
InChIKeyTUZQSYGLLVKAGW-UHFFFAOYSA-N
MW259.35 g/mol
LogP3.02
Rot. Bonds3

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

ethane;2-(2-ethyl-1,3-thiazol-5-yl)-5-(1-fluoroethyl)-2,3-dihydro-1,3,4-oxadiazole (PubChem CID 156799478) has the molecular formula C11H18FN3OS and a molecular weight of 259.35 g/mol. Its IUPAC name is ethane;2-(2-ethyl-1,3-thiazol-5-yl)-5-(1-fluoroethyl)-2,3-dihydro-1,3,4-oxadiazole.

Molecular Properties

Compound Nameethane;2-(2-ethyl-1,3-thiazol-5-yl)-5-(1-fluoroethyl)-2,3-dihydro-1,3,4-oxadiazole
PubChem CID156799478
Molecular FormulaC11H18FN3OS
Molecular Weight259.35 g/mol
Exact Mass259.12
IUPAC Nameethane;2-(2-ethyl-1,3-thiazol-5-yl)-5-(1-fluoroethyl)-2,3-dihydro-1,3,4-oxadiazole
SMILESCC.CCc1ncc(C2NN=C(C(C)F)O2)s1
InChIInChI=1S/C9H12FN3OS.C2H6/c1-3-7-11-4-6(15-7)9-13-12-8(14-9)5(2)10;1-2/h4-5,9,13H,3H2,1-2H3;1-2H3
InChIKeyTUZQSYGLLVKAGW-UHFFFAOYSA-N
XLogP3.02
TPSA46.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethane;2-(2-ethyl-1,3-thiazol-5-yl)-5-(1-fluoroethyl)-2,3-dihydro-1,3,4-oxadiazole?
The IUPAC name of ethane;2-(2-ethyl-1,3-thiazol-5-yl)-5-(1-fluoroethyl)-2,3-dihydro-1,3,4-oxadiazole (CID 156799478) is ethane;2-(2-ethyl-1,3-thiazol-5-yl)-5-(1-fluoroethyl)-2,3-dihydro-1,3,4-oxadiazole.
What is the SMILES notation for ethane;2-(2-ethyl-1,3-thiazol-5-yl)-5-(1-fluoroethyl)-2,3-dihydro-1,3,4-oxadiazole?
The canonical SMILES for ethane;2-(2-ethyl-1,3-thiazol-5-yl)-5-(1-fluoroethyl)-2,3-dihydro-1,3,4-oxadiazole is CC.CCc1ncc(C2NN=C(C(C)F)O2)s1.
What is the InChIKey of ethane;2-(2-ethyl-1,3-thiazol-5-yl)-5-(1-fluoroethyl)-2,3-dihydro-1,3,4-oxadiazole?
The InChIKey is TUZQSYGLLVKAGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12FN3OS.C2H6/c1-3-7-11-4-6(15-7)9-13-12-8(14-9)5(2)10;1-2/h4-5,9,13H,3H2,1-2H3;1-2H3.
What are the key properties of ethane;2-(2-ethyl-1,3-thiazol-5-yl)-5-(1-fluoroethyl)-2,3-dihydro-1,3,4-oxadiazole?
ethane;2-(2-ethyl-1,3-thiazol-5-yl)-5-(1-fluoroethyl)-2,3-dihydro-1,3,4-oxadiazole has a molecular weight of 259.35 g/mol, XLogP of 3.02, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-(2-ethyl-1,3-thiazol-5-yl)-5-(1-fluoroethyl)-2,3-dihydro-1,3,4-oxadiazole is sourced from PubChem (CID 156799478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).