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

C9H12F2N2S — CID 162549395

IUPAC5-(3,3-difluoropiperidin-1-yl)-2-methyl-1,3-thiazole
SMILESCc1ncc(N2CCCC(F)(F)C2)s1
InChIInChI=1S/C9H12F2N2S/c1-7-12-5-8(14-7)13-4-2-3-9(10,11)6-13/h5H,2-4,6H2,1H3
InChIKeyOSRAFCSQBJXKIC-UHFFFAOYSA-N
MW218.27 g/mol
LogP2.69
Rot. Bonds1

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

5-(3,3-difluoropiperidin-1-yl)-2-methyl-1,3-thiazole (PubChem CID 162549395) has the molecular formula C9H12F2N2S and a molecular weight of 218.27 g/mol. Its IUPAC name is 5-(3,3-difluoropiperidin-1-yl)-2-methyl-1,3-thiazole.

Molecular Properties

Compound Name5-(3,3-difluoropiperidin-1-yl)-2-methyl-1,3-thiazole
PubChem CID162549395
Molecular FormulaC9H12F2N2S
Molecular Weight218.27 g/mol
Exact Mass218.07
IUPAC Name5-(3,3-difluoropiperidin-1-yl)-2-methyl-1,3-thiazole
SMILESCc1ncc(N2CCCC(F)(F)C2)s1
InChIInChI=1S/C9H12F2N2S/c1-7-12-5-8(14-7)13-4-2-3-9(10,11)6-13/h5H,2-4,6H2,1H3
InChIKeyOSRAFCSQBJXKIC-UHFFFAOYSA-N
XLogP2.69
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.27
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(3,3-difluoropiperidin-1-yl)-2-methyl-1,3-thiazole?
The IUPAC name of 5-(3,3-difluoropiperidin-1-yl)-2-methyl-1,3-thiazole (CID 162549395) is 5-(3,3-difluoropiperidin-1-yl)-2-methyl-1,3-thiazole.
What is the SMILES notation for 5-(3,3-difluoropiperidin-1-yl)-2-methyl-1,3-thiazole?
The canonical SMILES for 5-(3,3-difluoropiperidin-1-yl)-2-methyl-1,3-thiazole is Cc1ncc(N2CCCC(F)(F)C2)s1.
What is the InChIKey of 5-(3,3-difluoropiperidin-1-yl)-2-methyl-1,3-thiazole?
The InChIKey is OSRAFCSQBJXKIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F2N2S/c1-7-12-5-8(14-7)13-4-2-3-9(10,11)6-13/h5H,2-4,6H2,1H3.
What are the key properties of 5-(3,3-difluoropiperidin-1-yl)-2-methyl-1,3-thiazole?
5-(3,3-difluoropiperidin-1-yl)-2-methyl-1,3-thiazole has a molecular weight of 218.27 g/mol, XLogP of 2.69, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,3-difluoropiperidin-1-yl)-2-methyl-1,3-thiazole is sourced from PubChem (CID 162549395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).