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

C7H8F2N2S — CID 143331091

IUPAC5-(3,3-difluoroazetidin-1-yl)-2-methyl-1,3-thiazole
SMILESCc1ncc(N2CC(F)(F)C2)s1
InChIInChI=1S/C7H8F2N2S/c1-5-10-2-6(12-5)11-3-7(8,9)4-11/h2H,3-4H2,1H3
InChIKeyJRXOFPSGZIINGT-UHFFFAOYSA-N
MW190.22 g/mol
LogP1.91
Rot. Bonds1

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

5-(3,3-difluoroazetidin-1-yl)-2-methyl-1,3-thiazole (PubChem CID 143331091) has the molecular formula C7H8F2N2S and a molecular weight of 190.22 g/mol. Its IUPAC name is 5-(3,3-difluoroazetidin-1-yl)-2-methyl-1,3-thiazole.

Molecular Properties

Compound Name5-(3,3-difluoroazetidin-1-yl)-2-methyl-1,3-thiazole
PubChem CID143331091
Molecular FormulaC7H8F2N2S
Molecular Weight190.22 g/mol
Exact Mass190.04
IUPAC Name5-(3,3-difluoroazetidin-1-yl)-2-methyl-1,3-thiazole
SMILESCc1ncc(N2CC(F)(F)C2)s1
InChIInChI=1S/C7H8F2N2S/c1-5-10-2-6(12-5)11-3-7(8,9)4-11/h2H,3-4H2,1H3
InChIKeyJRXOFPSGZIINGT-UHFFFAOYSA-N
XLogP1.91
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.22
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-(3-Fluoro-3-methylazetidin-1-yl)-2-propan-2-yl-1,3-thiazole
CID 23571142
2-[Methyl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]amino]ethanethiol
CID 88233329
5-(4,4-Difluoropiperidin-1-yl)-2-methyl-1,3-thiazole;ethane
CID 142825973
5-(4,4-Difluoropiperidin-1-yl)-2-methyl-1,3-thiazole
CID 142825974
5-(3,3-Difluoroazetidin-1-yl)-2-methyl-1,3-thiazole;ethane
CID 143331090
N-(1,3-thiazol-2-ylmethyl)-N-(2,2,2-trifluoroethyl)cyclobutanamine
CID 75434559
2-(Difluoromethyl)-1,3-thiazol-5-amine
CID 84763177
2-(1,1-Difluoroethyl)thiazol-5-amine
CID 84764772
N'-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propane-1,3-diamine
CID 106784020
N,N'-dimethyl-N'-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propane-1,3-diamine
CID 106784025
N,N'-dimethyl-N'-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethane-1,2-diamine
CID 106784027
2-[(3-Fluoroazetidin-1-yl)methyl]-1,3-thiazole
CID 130723714

Frequently Asked Questions

What is the IUPAC name of 5-(3,3-difluoroazetidin-1-yl)-2-methyl-1,3-thiazole?
The IUPAC name of 5-(3,3-difluoroazetidin-1-yl)-2-methyl-1,3-thiazole (CID 143331091) is 5-(3,3-difluoroazetidin-1-yl)-2-methyl-1,3-thiazole.
What is the SMILES notation for 5-(3,3-difluoroazetidin-1-yl)-2-methyl-1,3-thiazole?
The canonical SMILES for 5-(3,3-difluoroazetidin-1-yl)-2-methyl-1,3-thiazole is Cc1ncc(N2CC(F)(F)C2)s1.
What is the InChIKey of 5-(3,3-difluoroazetidin-1-yl)-2-methyl-1,3-thiazole?
The InChIKey is JRXOFPSGZIINGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F2N2S/c1-5-10-2-6(12-5)11-3-7(8,9)4-11/h2H,3-4H2,1H3.
What are the key properties of 5-(3,3-difluoroazetidin-1-yl)-2-methyl-1,3-thiazole?
5-(3,3-difluoroazetidin-1-yl)-2-methyl-1,3-thiazole has a molecular weight of 190.22 g/mol, XLogP of 1.91, 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 is sourced from PubChem (CID 143331091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).