5-[3-(difluoromethyl)azetidin-1-yl]-3-propan-2-yl-1,2,4-thiadiazole

C9H13F2N3S — CID 171326416

IUPAC5-[3-(difluoromethyl)azetidin-1-yl]-3-propan-2-yl-1,2,4-thiadiazole
SMILESCC(C)c1nsc(N2CC(C(F)F)C2)n1
InChIInChI=1S/C9H13F2N3S/c1-5(2)8-12-9(15-13-8)14-3-6(4-14)7(10)11/h5-7H,3-4H2,1-2H3
InChIKeyRYAKQCMHWCFERN-UHFFFAOYSA-N
MW233.29 g/mol
LogP2.36
Rot. Bonds3

About 5-[3-(difluoromethyl)azetidin-1-yl]-3-propan-2-yl-1,2,4-thiadiazole

5-[3-(difluoromethyl)azetidin-1-yl]-3-propan-2-yl-1,2,4-thiadiazole (PubChem CID 171326416) has the molecular formula C9H13F2N3S and a molecular weight of 233.29 g/mol. Its IUPAC name is 5-[3-(difluoromethyl)azetidin-1-yl]-3-propan-2-yl-1,2,4-thiadiazole.

Molecular Properties

Compound Name5-[3-(difluoromethyl)azetidin-1-yl]-3-propan-2-yl-1,2,4-thiadiazole
PubChem CID171326416
Molecular FormulaC9H13F2N3S
Molecular Weight233.29 g/mol
Exact Mass233.08
IUPAC Name5-[3-(difluoromethyl)azetidin-1-yl]-3-propan-2-yl-1,2,4-thiadiazole
SMILESCC(C)c1nsc(N2CC(C(F)F)C2)n1
InChIInChI=1S/C9H13F2N3S/c1-5(2)8-12-9(15-13-8)14-3-6(4-14)7(10)11/h5-7H,3-4H2,1-2H3
InChIKeyRYAKQCMHWCFERN-UHFFFAOYSA-N
XLogP2.36
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.29
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-[3-(2,2-Difluoroethyl)azetidin-1-yl]-3-methyl-1,2,4-thiadiazole
CID 126794128
5-Tert-butyl-3-(3-fluoroazetidin-1-yl)-1,2,4-thiadiazole
CID 169036009
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
N-(2-methylpropyl)-3-(2,2,2-trifluoroethyl)-1,2,4-thiadiazol-5-amine
CID 65267701
3-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,2,4-thiadiazol-5-amine
CID 65271025
3-propan-2-yl-N-(3,3,3-trifluoropropyl)-1,2,4-thiadiazol-5-amine
CID 65274381
3-propan-2-yl-N-(2,2,3,3-tetrafluoropropyl)-1,2,4-thiadiazol-5-amine
CID 106293757
3-[Ethyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]-2-methylpropanenitrile
CID 107304503
2-Methyl-3-[methyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propanenitrile
CID 107304505
3-[Ethyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]-2-methylpropanimidamide
CID 107304623

Frequently Asked Questions

What is the IUPAC name of 5-[3-(difluoromethyl)azetidin-1-yl]-3-propan-2-yl-1,2,4-thiadiazole?
The IUPAC name of 5-[3-(difluoromethyl)azetidin-1-yl]-3-propan-2-yl-1,2,4-thiadiazole (CID 171326416) is 5-[3-(difluoromethyl)azetidin-1-yl]-3-propan-2-yl-1,2,4-thiadiazole.
What is the SMILES notation for 5-[3-(difluoromethyl)azetidin-1-yl]-3-propan-2-yl-1,2,4-thiadiazole?
The canonical SMILES for 5-[3-(difluoromethyl)azetidin-1-yl]-3-propan-2-yl-1,2,4-thiadiazole is CC(C)c1nsc(N2CC(C(F)F)C2)n1.
What is the InChIKey of 5-[3-(difluoromethyl)azetidin-1-yl]-3-propan-2-yl-1,2,4-thiadiazole?
The InChIKey is RYAKQCMHWCFERN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F2N3S/c1-5(2)8-12-9(15-13-8)14-3-6(4-14)7(10)11/h5-7H,3-4H2,1-2H3.
What are the key properties of 5-[3-(difluoromethyl)azetidin-1-yl]-3-propan-2-yl-1,2,4-thiadiazole?
5-[3-(difluoromethyl)azetidin-1-yl]-3-propan-2-yl-1,2,4-thiadiazole has a molecular weight of 233.29 g/mol, XLogP of 2.36, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(difluoromethyl)azetidin-1-yl]-3-propan-2-yl-1,2,4-thiadiazole is sourced from PubChem (CID 171326416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).