5-[3-(2,2-difluoroethyl)azetidin-1-yl]-3-methyl-1,2,4-thiadiazole

C8H11F2N3S — CID 126794128

IUPAC5-[3-(2,2-difluoroethyl)azetidin-1-yl]-3-methyl-1,2,4-thiadiazole
SMILESCc1nsc(N2CC(CC(F)F)C2)n1
InChIInChI=1S/C8H11F2N3S/c1-5-11-8(14-12-5)13-3-6(4-13)2-7(9)10/h6-7H,2-4H2,1H3
InChIKeyZZHUVVQERXTQEM-UHFFFAOYSA-N
MW219.26 g/mol
LogP1.94
Rot. Bonds3

About 5-[3-(2,2-difluoroethyl)azetidin-1-yl]-3-methyl-1,2,4-thiadiazole

5-[3-(2,2-difluoroethyl)azetidin-1-yl]-3-methyl-1,2,4-thiadiazole (PubChem CID 126794128) has the molecular formula C8H11F2N3S and a molecular weight of 219.26 g/mol. Its IUPAC name is 5-[3-(2,2-difluoroethyl)azetidin-1-yl]-3-methyl-1,2,4-thiadiazole.

Molecular Properties

Compound Name5-[3-(2,2-difluoroethyl)azetidin-1-yl]-3-methyl-1,2,4-thiadiazole
PubChem CID126794128
Molecular FormulaC8H11F2N3S
Molecular Weight219.26 g/mol
Exact Mass219.06
IUPAC Name5-[3-(2,2-difluoroethyl)azetidin-1-yl]-3-methyl-1,2,4-thiadiazole
SMILESCc1nsc(N2CC(CC(F)F)C2)n1
InChIInChI=1S/C8H11F2N3S/c1-5-11-8(14-12-5)13-3-6(4-13)2-7(9)10/h6-7H,2-4H2,1H3
InChIKeyZZHUVVQERXTQEM-UHFFFAOYSA-N
XLogP1.94
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.26
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-Methyl-5-[4-(trifluoromethyl)piperidin-1-yl]-1,2,4-thiadiazole
CID 119099100
3-Methyl-5-[3-(trifluoromethyl)piperidin-1-yl]-1,2,4-thiadiazole
CID 58792112
5-Tert-butyl-3-(3,3-difluoroazetidin-1-yl)-1,2,4-thiadiazole
CID 169036011
3-(3,3-Difluoroazetidin-1-yl)-5-methyl-1,2,4-thiadiazole
CID 169883076
3-(3-Fluoroazetidin-1-yl)-5-methyl-1,2,4-thiadiazole
CID 169883078
2-Methyl-3-[methyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propanenitrile
CID 107304505
3-Ethyl-1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]azetidin-3-amine
CID 107306266
3-Propan-2-yl-1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]azetidin-3-amine
CID 107306268
3-Methyl-5-(4-(trifluoromethyl)piperidin-1-yl)-1,2,4-thiadiazole hydrochloride
CID 119099099
5-(3-(Fluoromethyl)azetidin-1-yl)-3-methyl-1,2,4-thiadiazole
CID 121185046
3-Cyclopropyl-5-[3-(fluoromethyl)azetidin-1-yl]-1,2,4-thiadiazole
CID 121185047
N-(2,2-difluoroethyl)-N,3-dimethyl-1,2,4-thiadiazol-5-amine
CID 126787153

Frequently Asked Questions

What is the IUPAC name of 5-[3-(2,2-difluoroethyl)azetidin-1-yl]-3-methyl-1,2,4-thiadiazole?
The IUPAC name of 5-[3-(2,2-difluoroethyl)azetidin-1-yl]-3-methyl-1,2,4-thiadiazole (CID 126794128) is 5-[3-(2,2-difluoroethyl)azetidin-1-yl]-3-methyl-1,2,4-thiadiazole.
What is the SMILES notation for 5-[3-(2,2-difluoroethyl)azetidin-1-yl]-3-methyl-1,2,4-thiadiazole?
The canonical SMILES for 5-[3-(2,2-difluoroethyl)azetidin-1-yl]-3-methyl-1,2,4-thiadiazole is Cc1nsc(N2CC(CC(F)F)C2)n1.
What is the InChIKey of 5-[3-(2,2-difluoroethyl)azetidin-1-yl]-3-methyl-1,2,4-thiadiazole?
The InChIKey is ZZHUVVQERXTQEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F2N3S/c1-5-11-8(14-12-5)13-3-6(4-13)2-7(9)10/h6-7H,2-4H2,1H3.
What are the key properties of 5-[3-(2,2-difluoroethyl)azetidin-1-yl]-3-methyl-1,2,4-thiadiazole?
5-[3-(2,2-difluoroethyl)azetidin-1-yl]-3-methyl-1,2,4-thiadiazole has a molecular weight of 219.26 g/mol, XLogP of 1.94, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(2,2-difluoroethyl)azetidin-1-yl]-3-methyl-1,2,4-thiadiazole is sourced from PubChem (CID 126794128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).