5-(3,3-difluoroazetidin-1-yl)-2-methyl-1,3-thiazole;ethane

C9H14F2N2S — CID 143331090

IUPAC5-(3,3-difluoroazetidin-1-yl)-2-methyl-1,3-thiazole;ethane
SMILESCC.Cc1ncc(N2CC(F)(F)C2)s1
InChIInChI=1S/C7H8F2N2S.C2H6/c1-5-10-2-6(12-5)11-3-7(8,9)4-11;1-2/h2H,3-4H2,1H3;1-2H3
InChIKeyAVGDIDKOBSNLFD-UHFFFAOYSA-N
MW220.29 g/mol
LogP2.93
Rot. Bonds1

About 5-(3,3-difluoroazetidin-1-yl)-2-methyl-1,3-thiazole;ethane

5-(3,3-difluoroazetidin-1-yl)-2-methyl-1,3-thiazole;ethane (PubChem CID 143331090) has the molecular formula C9H14F2N2S and a molecular weight of 220.29 g/mol. Its IUPAC name is 5-(3,3-difluoroazetidin-1-yl)-2-methyl-1,3-thiazole;ethane.

Molecular Properties

Compound Name5-(3,3-difluoroazetidin-1-yl)-2-methyl-1,3-thiazole;ethane
PubChem CID143331090
Molecular FormulaC9H14F2N2S
Molecular Weight220.29 g/mol
Exact Mass220.08
IUPAC Name5-(3,3-difluoroazetidin-1-yl)-2-methyl-1,3-thiazole;ethane
SMILESCC.Cc1ncc(N2CC(F)(F)C2)s1
InChIInChI=1S/C7H8F2N2S.C2H6/c1-5-10-2-6(12-5)11-3-7(8,9)4-11;1-2/h2H,3-4H2,1H3;1-2H3
InChIKeyAVGDIDKOBSNLFD-UHFFFAOYSA-N
XLogP2.93
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.29
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(3,3-difluoroazetidin-1-yl)-2-methyl-1,3-thiazole;ethane?
The IUPAC name of 5-(3,3-difluoroazetidin-1-yl)-2-methyl-1,3-thiazole;ethane (CID 143331090) is 5-(3,3-difluoroazetidin-1-yl)-2-methyl-1,3-thiazole;ethane.
What is the SMILES notation for 5-(3,3-difluoroazetidin-1-yl)-2-methyl-1,3-thiazole;ethane?
The canonical SMILES for 5-(3,3-difluoroazetidin-1-yl)-2-methyl-1,3-thiazole;ethane is CC.Cc1ncc(N2CC(F)(F)C2)s1.
What is the InChIKey of 5-(3,3-difluoroazetidin-1-yl)-2-methyl-1,3-thiazole;ethane?
The InChIKey is AVGDIDKOBSNLFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F2N2S.C2H6/c1-5-10-2-6(12-5)11-3-7(8,9)4-11;1-2/h2H,3-4H2,1H3;1-2H3.
What are the key properties of 5-(3,3-difluoroazetidin-1-yl)-2-methyl-1,3-thiazole;ethane?
5-(3,3-difluoroazetidin-1-yl)-2-methyl-1,3-thiazole;ethane has a molecular weight of 220.29 g/mol, XLogP of 2.93, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,3-difluoroazetidin-1-yl)-2-methyl-1,3-thiazole;ethane is sourced from PubChem (CID 143331090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).