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

C7H7F2N3OS — CID 156526024

IUPAC5-(difluoromethyl)-2-(2-methyl-1,3-thiazol-4-yl)-2,3-dihydro-1,3,4-oxadiazole
SMILESCc1nc(C2NN=C(C(F)F)O2)cs1
InChIInChI=1S/C7H7F2N3OS/c1-3-10-4(2-14-3)6-11-12-7(13-6)5(8)9/h2,5-6,11H,1H3
InChIKeyZSEPTQBOUBPFAX-UHFFFAOYSA-N
MW219.22 g/mol
LogP1.65
Rot. Bonds2

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

5-(difluoromethyl)-2-(2-methyl-1,3-thiazol-4-yl)-2,3-dihydro-1,3,4-oxadiazole (PubChem CID 156526024) has the molecular formula C7H7F2N3OS and a molecular weight of 219.22 g/mol. Its IUPAC name is 5-(difluoromethyl)-2-(2-methyl-1,3-thiazol-4-yl)-2,3-dihydro-1,3,4-oxadiazole.

Molecular Properties

Compound Name5-(difluoromethyl)-2-(2-methyl-1,3-thiazol-4-yl)-2,3-dihydro-1,3,4-oxadiazole
PubChem CID156526024
Molecular FormulaC7H7F2N3OS
Molecular Weight219.22 g/mol
Exact Mass219.03
IUPAC Name5-(difluoromethyl)-2-(2-methyl-1,3-thiazol-4-yl)-2,3-dihydro-1,3,4-oxadiazole
SMILESCc1nc(C2NN=C(C(F)F)O2)cs1
InChIInChI=1S/C7H7F2N3OS/c1-3-10-4(2-14-3)6-11-12-7(13-6)5(8)9/h2,5-6,11H,1H3
InChIKeyZSEPTQBOUBPFAX-UHFFFAOYSA-N
XLogP1.65
TPSA46.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.22
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethyl)-2-(2-methyl-1,3-thiazol-4-yl)-2,3-dihydro-1,3,4-oxadiazole?
The IUPAC name of 5-(difluoromethyl)-2-(2-methyl-1,3-thiazol-4-yl)-2,3-dihydro-1,3,4-oxadiazole (CID 156526024) is 5-(difluoromethyl)-2-(2-methyl-1,3-thiazol-4-yl)-2,3-dihydro-1,3,4-oxadiazole.
What is the SMILES notation for 5-(difluoromethyl)-2-(2-methyl-1,3-thiazol-4-yl)-2,3-dihydro-1,3,4-oxadiazole?
The canonical SMILES for 5-(difluoromethyl)-2-(2-methyl-1,3-thiazol-4-yl)-2,3-dihydro-1,3,4-oxadiazole is Cc1nc(C2NN=C(C(F)F)O2)cs1.
What is the InChIKey of 5-(difluoromethyl)-2-(2-methyl-1,3-thiazol-4-yl)-2,3-dihydro-1,3,4-oxadiazole?
The InChIKey is ZSEPTQBOUBPFAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F2N3OS/c1-3-10-4(2-14-3)6-11-12-7(13-6)5(8)9/h2,5-6,11H,1H3.
What are the key properties of 5-(difluoromethyl)-2-(2-methyl-1,3-thiazol-4-yl)-2,3-dihydro-1,3,4-oxadiazole?
5-(difluoromethyl)-2-(2-methyl-1,3-thiazol-4-yl)-2,3-dihydro-1,3,4-oxadiazole has a molecular weight of 219.22 g/mol, XLogP of 1.65, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(difluoromethyl)-2-(2-methyl-1,3-thiazol-4-yl)-2,3-dihydro-1,3,4-oxadiazole is sourced from PubChem (CID 156526024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).