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

C8H10BrFN2S — CID 164651187

IUPAC4-bromo-2-(4-fluoropiperidin-1-yl)-1,3-thiazole
SMILESFC1CCN(c2nc(Br)cs2)CC1
InChIInChI=1S/C8H10BrFN2S/c9-7-5-13-8(11-7)12-3-1-6(10)2-4-12/h5-6H,1-4H2
InChIKeyDAJHVHRAUIANIV-UHFFFAOYSA-N
MW265.15 g/mol
LogP2.84
Rot. Bonds1

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

4-bromo-2-(4-fluoropiperidin-1-yl)-1,3-thiazole (PubChem CID 164651187) has the molecular formula C8H10BrFN2S and a molecular weight of 265.15 g/mol. Its IUPAC name is 4-bromo-2-(4-fluoropiperidin-1-yl)-1,3-thiazole.

Molecular Properties

Compound Name4-bromo-2-(4-fluoropiperidin-1-yl)-1,3-thiazole
PubChem CID164651187
Molecular FormulaC8H10BrFN2S
Molecular Weight265.15 g/mol
Exact Mass263.97
IUPAC Name4-bromo-2-(4-fluoropiperidin-1-yl)-1,3-thiazole
SMILESFC1CCN(c2nc(Br)cs2)CC1
InChIInChI=1S/C8H10BrFN2S/c9-7-5-13-8(11-7)12-3-1-6(10)2-4-12/h5-6H,1-4H2
InChIKeyDAJHVHRAUIANIV-UHFFFAOYSA-N
XLogP2.84
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.15
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-(4-fluoropiperidin-1-yl)-1,3-thiazole?
The IUPAC name of 4-bromo-2-(4-fluoropiperidin-1-yl)-1,3-thiazole (CID 164651187) is 4-bromo-2-(4-fluoropiperidin-1-yl)-1,3-thiazole.
What is the SMILES notation for 4-bromo-2-(4-fluoropiperidin-1-yl)-1,3-thiazole?
The canonical SMILES for 4-bromo-2-(4-fluoropiperidin-1-yl)-1,3-thiazole is FC1CCN(c2nc(Br)cs2)CC1.
What is the InChIKey of 4-bromo-2-(4-fluoropiperidin-1-yl)-1,3-thiazole?
The InChIKey is DAJHVHRAUIANIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10BrFN2S/c9-7-5-13-8(11-7)12-3-1-6(10)2-4-12/h5-6H,1-4H2.
What are the key properties of 4-bromo-2-(4-fluoropiperidin-1-yl)-1,3-thiazole?
4-bromo-2-(4-fluoropiperidin-1-yl)-1,3-thiazole has a molecular weight of 265.15 g/mol, XLogP of 2.84, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-(4-fluoropiperidin-1-yl)-1,3-thiazole is sourced from PubChem (CID 164651187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).