4-bromo-2-(4-fluoropiperidin-4-yl)-1,3-thiazole

C8H10BrFN2S — CID 83855092

IUPAC4-bromo-2-(4-fluoropiperidin-4-yl)-1,3-thiazole
SMILESFC1(c2nc(Br)cs2)CCNCC1
InChIInChI=1S/C8H10BrFN2S/c9-6-5-13-7(12-6)8(10)1-3-11-4-2-8/h5,11H,1-4H2
InChIKeyCKKSOJSVUAXOPO-UHFFFAOYSA-N
MW265.15 g/mol
LogP2.45
Rot. Bonds1

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

4-bromo-2-(4-fluoropiperidin-4-yl)-1,3-thiazole (PubChem CID 83855092) has the molecular formula C8H10BrFN2S and a molecular weight of 265.15 g/mol. Its IUPAC name is 4-bromo-2-(4-fluoropiperidin-4-yl)-1,3-thiazole.

Molecular Properties

Compound Name4-bromo-2-(4-fluoropiperidin-4-yl)-1,3-thiazole
PubChem CID83855092
Molecular FormulaC8H10BrFN2S
Molecular Weight265.15 g/mol
Exact Mass263.97
IUPAC Name4-bromo-2-(4-fluoropiperidin-4-yl)-1,3-thiazole
SMILESFC1(c2nc(Br)cs2)CCNCC1
InChIInChI=1S/C8H10BrFN2S/c9-6-5-13-7(12-6)8(10)1-3-11-4-2-8/h5,11H,1-4H2
InChIKeyCKKSOJSVUAXOPO-UHFFFAOYSA-N
XLogP2.45
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.15
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-(4-fluoropiperidin-4-yl)-1,3-thiazole?
The IUPAC name of 4-bromo-2-(4-fluoropiperidin-4-yl)-1,3-thiazole (CID 83855092) is 4-bromo-2-(4-fluoropiperidin-4-yl)-1,3-thiazole.
What is the SMILES notation for 4-bromo-2-(4-fluoropiperidin-4-yl)-1,3-thiazole?
The canonical SMILES for 4-bromo-2-(4-fluoropiperidin-4-yl)-1,3-thiazole is FC1(c2nc(Br)cs2)CCNCC1.
What is the InChIKey of 4-bromo-2-(4-fluoropiperidin-4-yl)-1,3-thiazole?
The InChIKey is CKKSOJSVUAXOPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10BrFN2S/c9-6-5-13-7(12-6)8(10)1-3-11-4-2-8/h5,11H,1-4H2.
What are the key properties of 4-bromo-2-(4-fluoropiperidin-4-yl)-1,3-thiazole?
4-bromo-2-(4-fluoropiperidin-4-yl)-1,3-thiazole has a molecular weight of 265.15 g/mol, XLogP of 2.45, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-(4-fluoropiperidin-4-yl)-1,3-thiazole is sourced from PubChem (CID 83855092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).