2-[(4,4-difluoropiperidin-1-yl)methyl]-4-propan-2-yl-1,3-thiazole

C12H18F2N2S — CID 178169613

IUPAC2-[(4,4-difluoropiperidin-1-yl)methyl]-4-propan-2-yl-1,3-thiazole
SMILESCC(C)c1csc(CN2CCC(F)(F)CC2)n1
InChIInChI=1S/C12H18F2N2S/c1-9(2)10-8-17-11(15-10)7-16-5-3-12(13,14)4-6-16/h8-9H,3-7H2,1-2H3
InChIKeyNQJPDMONHZHWLJ-UHFFFAOYSA-N
MW260.35 g/mol
LogP3.50
Rot. Bonds3

About 2-[(4,4-difluoropiperidin-1-yl)methyl]-4-propan-2-yl-1,3-thiazole

2-[(4,4-difluoropiperidin-1-yl)methyl]-4-propan-2-yl-1,3-thiazole (PubChem CID 178169613) has the molecular formula C12H18F2N2S and a molecular weight of 260.35 g/mol. Its IUPAC name is 2-[(4,4-difluoropiperidin-1-yl)methyl]-4-propan-2-yl-1,3-thiazole.

Molecular Properties

Compound Name2-[(4,4-difluoropiperidin-1-yl)methyl]-4-propan-2-yl-1,3-thiazole
PubChem CID178169613
Molecular FormulaC12H18F2N2S
Molecular Weight260.35 g/mol
Exact Mass260.12
IUPAC Name2-[(4,4-difluoropiperidin-1-yl)methyl]-4-propan-2-yl-1,3-thiazole
SMILESCC(C)c1csc(CN2CCC(F)(F)CC2)n1
InChIInChI=1S/C12H18F2N2S/c1-9(2)10-8-17-11(15-10)7-16-5-3-12(13,14)4-6-16/h8-9H,3-7H2,1-2H3
InChIKeyNQJPDMONHZHWLJ-UHFFFAOYSA-N
XLogP3.50
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.35
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(4,4-difluoropiperidin-1-yl)methyl]-4-propan-2-yl-1,3-thiazole?
The IUPAC name of 2-[(4,4-difluoropiperidin-1-yl)methyl]-4-propan-2-yl-1,3-thiazole (CID 178169613) is 2-[(4,4-difluoropiperidin-1-yl)methyl]-4-propan-2-yl-1,3-thiazole.
What is the SMILES notation for 2-[(4,4-difluoropiperidin-1-yl)methyl]-4-propan-2-yl-1,3-thiazole?
The canonical SMILES for 2-[(4,4-difluoropiperidin-1-yl)methyl]-4-propan-2-yl-1,3-thiazole is CC(C)c1csc(CN2CCC(F)(F)CC2)n1.
What is the InChIKey of 2-[(4,4-difluoropiperidin-1-yl)methyl]-4-propan-2-yl-1,3-thiazole?
The InChIKey is NQJPDMONHZHWLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F2N2S/c1-9(2)10-8-17-11(15-10)7-16-5-3-12(13,14)4-6-16/h8-9H,3-7H2,1-2H3.
What are the key properties of 2-[(4,4-difluoropiperidin-1-yl)methyl]-4-propan-2-yl-1,3-thiazole?
2-[(4,4-difluoropiperidin-1-yl)methyl]-4-propan-2-yl-1,3-thiazole has a molecular weight of 260.35 g/mol, XLogP of 3.50, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4,4-difluoropiperidin-1-yl)methyl]-4-propan-2-yl-1,3-thiazole is sourced from PubChem (CID 178169613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).