5-bromo-2-(4,4-difluoropiperidin-1-yl)-1,3-thiazole

C8H9BrF2N2S — CID 170621557

IUPAC5-bromo-2-(4,4-difluoropiperidin-1-yl)-1,3-thiazole
SMILESFC1(F)CCN(c2ncc(Br)s2)CC1
InChIInChI=1S/C8H9BrF2N2S/c9-6-5-12-7(14-6)13-3-1-8(10,11)2-4-13/h5H,1-4H2
InChIKeyFBZQJNIPPITEPG-UHFFFAOYSA-N
MW283.14 g/mol
LogP3.14
Rot. Bonds1

About 5-bromo-2-(4,4-difluoropiperidin-1-yl)-1,3-thiazole

5-bromo-2-(4,4-difluoropiperidin-1-yl)-1,3-thiazole (PubChem CID 170621557) has the molecular formula C8H9BrF2N2S and a molecular weight of 283.14 g/mol. Its IUPAC name is 5-bromo-2-(4,4-difluoropiperidin-1-yl)-1,3-thiazole.

Molecular Properties

Compound Name5-bromo-2-(4,4-difluoropiperidin-1-yl)-1,3-thiazole
PubChem CID170621557
Molecular FormulaC8H9BrF2N2S
Molecular Weight283.14 g/mol
Exact Mass281.96
IUPAC Name5-bromo-2-(4,4-difluoropiperidin-1-yl)-1,3-thiazole
SMILESFC1(F)CCN(c2ncc(Br)s2)CC1
InChIInChI=1S/C8H9BrF2N2S/c9-6-5-12-7(14-6)13-3-1-8(10,11)2-4-13/h5H,1-4H2
InChIKeyFBZQJNIPPITEPG-UHFFFAOYSA-N
XLogP3.14
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.14
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(4,4-difluoropiperidin-1-yl)-1,3-thiazole?
The IUPAC name of 5-bromo-2-(4,4-difluoropiperidin-1-yl)-1,3-thiazole (CID 170621557) is 5-bromo-2-(4,4-difluoropiperidin-1-yl)-1,3-thiazole.
What is the SMILES notation for 5-bromo-2-(4,4-difluoropiperidin-1-yl)-1,3-thiazole?
The canonical SMILES for 5-bromo-2-(4,4-difluoropiperidin-1-yl)-1,3-thiazole is FC1(F)CCN(c2ncc(Br)s2)CC1.
What is the InChIKey of 5-bromo-2-(4,4-difluoropiperidin-1-yl)-1,3-thiazole?
The InChIKey is FBZQJNIPPITEPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BrF2N2S/c9-6-5-12-7(14-6)13-3-1-8(10,11)2-4-13/h5H,1-4H2.
What are the key properties of 5-bromo-2-(4,4-difluoropiperidin-1-yl)-1,3-thiazole?
5-bromo-2-(4,4-difluoropiperidin-1-yl)-1,3-thiazole has a molecular weight of 283.14 g/mol, XLogP of 3.14, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(4,4-difluoropiperidin-1-yl)-1,3-thiazole is sourced from PubChem (CID 170621557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).