2-(3,3-difluoroazetidin-1-yl)-5-propan-2-yl-1,3,4-thiadiazole

C8H11F2N3S — CID 175647995

IUPAC2-(3,3-difluoroazetidin-1-yl)-5-propan-2-yl-1,3,4-thiadiazole
SMILESCC(C)c1nnc(N2CC(F)(F)C2)s1
InChIInChI=1S/C8H11F2N3S/c1-5(2)6-11-12-7(14-6)13-3-8(9,10)4-13/h5H,3-4H2,1-2H3
InChIKeyLOLWKGMMSOXHHC-UHFFFAOYSA-N
MW219.26 g/mol
LogP2.12
Rot. Bonds2

About 2-(3,3-difluoroazetidin-1-yl)-5-propan-2-yl-1,3,4-thiadiazole

2-(3,3-difluoroazetidin-1-yl)-5-propan-2-yl-1,3,4-thiadiazole (PubChem CID 175647995) has the molecular formula C8H11F2N3S and a molecular weight of 219.26 g/mol. Its IUPAC name is 2-(3,3-difluoroazetidin-1-yl)-5-propan-2-yl-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-(3,3-difluoroazetidin-1-yl)-5-propan-2-yl-1,3,4-thiadiazole
PubChem CID175647995
Molecular FormulaC8H11F2N3S
Molecular Weight219.26 g/mol
Exact Mass219.06
IUPAC Name2-(3,3-difluoroazetidin-1-yl)-5-propan-2-yl-1,3,4-thiadiazole
SMILESCC(C)c1nnc(N2CC(F)(F)C2)s1
InChIInChI=1S/C8H11F2N3S/c1-5(2)6-11-12-7(14-6)13-3-8(9,10)4-13/h5H,3-4H2,1-2H3
InChIKeyLOLWKGMMSOXHHC-UHFFFAOYSA-N
XLogP2.12
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.26
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-5-propyl-N-(3,3,3-trifluoropropyl)-1,3,4-thiadiazol-2-amine
CID 75442120
2-Methyl-3-[methyl-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]propanenitrile
CID 114448267
2-(3-(Fluoromethyl)azetidin-1-yl)-5-methyl-1,3,4-thiadiazole
CID 121184977
2-(3,3-Difluoroazetidin-1-yl)-5-methyl-1,3,4-thiadiazole
CID 122269409
2-[3-(Difluoromethyl)azetidin-1-yl]-5-methyl-1,3,4-thiadiazole
CID 122270082
2-(3,3-Difluoropyrrolidin-1-yl)-5-(propan-2-yl)-1,3,4-thiadiazole
CID 127749765
[1-[5-(Difluoromethyl)-1,3,4-thiadiazol-2-yl]azetidin-3-yl]methanamine
CID 130563628
1-[1-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]azetidin-3-yl]-N,N-dimethylmethanamine
CID 166278706
4,4-Difluoro-1-[5-(propan-2-yl)-1,3,4-thiadiazol-2-yl]piperidine
CID 168055800
2-Cyclopropyl-5-[3-(difluoromethyl)azetidin-1-yl]-1,3,4-thiadiazole
CID 171333909
2-[3-(Fluoromethyl)azetidin-1-yl]-5-(propan-2-yl)-1,3,4-thiadiazole
CID 172900405
2-Tert-butyl-5-[3-(fluoromethyl)azetidin-1-yl]-1,3,4-thiadiazole
CID 172900431

Frequently Asked Questions

What is the IUPAC name of 2-(3,3-difluoroazetidin-1-yl)-5-propan-2-yl-1,3,4-thiadiazole?
The IUPAC name of 2-(3,3-difluoroazetidin-1-yl)-5-propan-2-yl-1,3,4-thiadiazole (CID 175647995) is 2-(3,3-difluoroazetidin-1-yl)-5-propan-2-yl-1,3,4-thiadiazole.
What is the SMILES notation for 2-(3,3-difluoroazetidin-1-yl)-5-propan-2-yl-1,3,4-thiadiazole?
The canonical SMILES for 2-(3,3-difluoroazetidin-1-yl)-5-propan-2-yl-1,3,4-thiadiazole is CC(C)c1nnc(N2CC(F)(F)C2)s1.
What is the InChIKey of 2-(3,3-difluoroazetidin-1-yl)-5-propan-2-yl-1,3,4-thiadiazole?
The InChIKey is LOLWKGMMSOXHHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F2N3S/c1-5(2)6-11-12-7(14-6)13-3-8(9,10)4-13/h5H,3-4H2,1-2H3.
What are the key properties of 2-(3,3-difluoroazetidin-1-yl)-5-propan-2-yl-1,3,4-thiadiazole?
2-(3,3-difluoroazetidin-1-yl)-5-propan-2-yl-1,3,4-thiadiazole has a molecular weight of 219.26 g/mol, XLogP of 2.12, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-difluoroazetidin-1-yl)-5-propan-2-yl-1,3,4-thiadiazole is sourced from PubChem (CID 175647995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).