4-bromo-2-(1-tert-butylpiperidin-4-yl)oxy-1,3-thiazole

C12H19BrN2OS — CID 67608099

IUPAC4-bromo-2-(1-tert-butylpiperidin-4-yl)oxy-1,3-thiazole
SMILESCC(C)(C)N1CCC(Oc2nc(Br)cs2)CC1
InChIInChI=1S/C12H19BrN2OS/c1-12(2,3)15-6-4-9(5-7-15)16-11-14-10(13)8-17-11/h8-9H,4-7H2,1-3H3
InChIKeyZDKBJFPNOGTALA-UHFFFAOYSA-N
MW319.27 g/mol
LogP3.55
Rot. Bonds2

About 4-bromo-2-(1-tert-butylpiperidin-4-yl)oxy-1,3-thiazole

4-bromo-2-(1-tert-butylpiperidin-4-yl)oxy-1,3-thiazole (PubChem CID 67608099) has the molecular formula C12H19BrN2OS and a molecular weight of 319.27 g/mol. Its IUPAC name is 4-bromo-2-(1-tert-butylpiperidin-4-yl)oxy-1,3-thiazole.

Molecular Properties

Compound Name4-bromo-2-(1-tert-butylpiperidin-4-yl)oxy-1,3-thiazole
PubChem CID67608099
Molecular FormulaC12H19BrN2OS
Molecular Weight319.27 g/mol
Exact Mass318.04
IUPAC Name4-bromo-2-(1-tert-butylpiperidin-4-yl)oxy-1,3-thiazole
SMILESCC(C)(C)N1CCC(Oc2nc(Br)cs2)CC1
InChIInChI=1S/C12H19BrN2OS/c1-12(2,3)15-6-4-9(5-7-15)16-11-14-10(13)8-17-11/h8-9H,4-7H2,1-3H3
InChIKeyZDKBJFPNOGTALA-UHFFFAOYSA-N
XLogP3.55
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.27
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-(1-tert-butylpiperidin-4-yl)oxy-1,3-thiazole?
The IUPAC name of 4-bromo-2-(1-tert-butylpiperidin-4-yl)oxy-1,3-thiazole (CID 67608099) is 4-bromo-2-(1-tert-butylpiperidin-4-yl)oxy-1,3-thiazole.
What is the SMILES notation for 4-bromo-2-(1-tert-butylpiperidin-4-yl)oxy-1,3-thiazole?
The canonical SMILES for 4-bromo-2-(1-tert-butylpiperidin-4-yl)oxy-1,3-thiazole is CC(C)(C)N1CCC(Oc2nc(Br)cs2)CC1.
What is the InChIKey of 4-bromo-2-(1-tert-butylpiperidin-4-yl)oxy-1,3-thiazole?
The InChIKey is ZDKBJFPNOGTALA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19BrN2OS/c1-12(2,3)15-6-4-9(5-7-15)16-11-14-10(13)8-17-11/h8-9H,4-7H2,1-3H3.
What are the key properties of 4-bromo-2-(1-tert-butylpiperidin-4-yl)oxy-1,3-thiazole?
4-bromo-2-(1-tert-butylpiperidin-4-yl)oxy-1,3-thiazole has a molecular weight of 319.27 g/mol, XLogP of 3.55, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-(1-tert-butylpiperidin-4-yl)oxy-1,3-thiazole is sourced from PubChem (CID 67608099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).