5-(difluoromethyl)-2-(2-ethyl-1,3-thiazol-5-yl)-2,3-dihydro-1,3,4-oxadiazole

C8H9F2N3OS — CID 156799459

IUPAC5-(difluoromethyl)-2-(2-ethyl-1,3-thiazol-5-yl)-2,3-dihydro-1,3,4-oxadiazole
SMILESCCc1ncc(C2NN=C(C(F)F)O2)s1
InChIInChI=1S/C8H9F2N3OS/c1-2-5-11-3-4(15-5)7-12-13-8(14-7)6(9)10/h3,6-7,12H,2H2,1H3
InChIKeyYQKSLNYNDCZMFH-UHFFFAOYSA-N
MW233.24 g/mol
LogP1.90
Rot. Bonds3

About 5-(difluoromethyl)-2-(2-ethyl-1,3-thiazol-5-yl)-2,3-dihydro-1,3,4-oxadiazole

5-(difluoromethyl)-2-(2-ethyl-1,3-thiazol-5-yl)-2,3-dihydro-1,3,4-oxadiazole (PubChem CID 156799459) has the molecular formula C8H9F2N3OS and a molecular weight of 233.24 g/mol. Its IUPAC name is 5-(difluoromethyl)-2-(2-ethyl-1,3-thiazol-5-yl)-2,3-dihydro-1,3,4-oxadiazole.

Molecular Properties

Compound Name5-(difluoromethyl)-2-(2-ethyl-1,3-thiazol-5-yl)-2,3-dihydro-1,3,4-oxadiazole
PubChem CID156799459
Molecular FormulaC8H9F2N3OS
Molecular Weight233.24 g/mol
Exact Mass233.04
IUPAC Name5-(difluoromethyl)-2-(2-ethyl-1,3-thiazol-5-yl)-2,3-dihydro-1,3,4-oxadiazole
SMILESCCc1ncc(C2NN=C(C(F)F)O2)s1
InChIInChI=1S/C8H9F2N3OS/c1-2-5-11-3-4(15-5)7-12-13-8(14-7)6(9)10/h3,6-7,12H,2H2,1H3
InChIKeyYQKSLNYNDCZMFH-UHFFFAOYSA-N
XLogP1.90
TPSA46.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.24
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-Ethyl-1,3-thiazol-5-yl)-5-(1-fluoroethyl)-2,3-dihydro-1,3,4-oxadiazole
CID 156799456
[2-[2-(2,2-Difluoroethoxy)ethyl]-1,3-thiazol-5-yl]methanamine
CID 103150105
[2-[2-(2,2,2-Trifluoroethoxy)ethyl]-1,3-thiazol-5-yl]methanamine
CID 103150106
1-[2-[2-(2,2-difluoroethoxy)ethyl]-1,3-thiazol-5-yl]-N-methylmethanamine
CID 103150107
N-methyl-1-[2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-5-yl]methanamine
CID 103150108
Ethane;2-(2-ethyl-1,3-thiazol-5-yl)-5-(1-fluoroethyl)-2,3-dihydro-1,3,4-oxadiazole
CID 156799478
5-[2-(2-methoxyethyl)-1,3-thiazol-5-yl]-3H-1,3,4-oxadiazole-2-thione
CID 82422369

Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethyl)-2-(2-ethyl-1,3-thiazol-5-yl)-2,3-dihydro-1,3,4-oxadiazole?
The IUPAC name of 5-(difluoromethyl)-2-(2-ethyl-1,3-thiazol-5-yl)-2,3-dihydro-1,3,4-oxadiazole (CID 156799459) is 5-(difluoromethyl)-2-(2-ethyl-1,3-thiazol-5-yl)-2,3-dihydro-1,3,4-oxadiazole.
What is the SMILES notation for 5-(difluoromethyl)-2-(2-ethyl-1,3-thiazol-5-yl)-2,3-dihydro-1,3,4-oxadiazole?
The canonical SMILES for 5-(difluoromethyl)-2-(2-ethyl-1,3-thiazol-5-yl)-2,3-dihydro-1,3,4-oxadiazole is CCc1ncc(C2NN=C(C(F)F)O2)s1.
What is the InChIKey of 5-(difluoromethyl)-2-(2-ethyl-1,3-thiazol-5-yl)-2,3-dihydro-1,3,4-oxadiazole?
The InChIKey is YQKSLNYNDCZMFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F2N3OS/c1-2-5-11-3-4(15-5)7-12-13-8(14-7)6(9)10/h3,6-7,12H,2H2,1H3.
What are the key properties of 5-(difluoromethyl)-2-(2-ethyl-1,3-thiazol-5-yl)-2,3-dihydro-1,3,4-oxadiazole?
5-(difluoromethyl)-2-(2-ethyl-1,3-thiazol-5-yl)-2,3-dihydro-1,3,4-oxadiazole has a molecular weight of 233.24 g/mol, XLogP of 1.90, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(difluoromethyl)-2-(2-ethyl-1,3-thiazol-5-yl)-2,3-dihydro-1,3,4-oxadiazole is sourced from PubChem (CID 156799459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).