4-bromo-2-(8-methyl-3-azabicyclo[3.2.1]octan-3-yl)-1,3-thiazole

C11H15BrN2S — CID 145004465

IUPAC4-bromo-2-(8-methyl-3-azabicyclo[3.2.1]octan-3-yl)-1,3-thiazole
SMILESCC1C2CCC1CN(c1nc(Br)cs1)C2
InChIInChI=1S/C11H15BrN2S/c1-7-8-2-3-9(7)5-14(4-8)11-13-10(12)6-15-11/h6-9H,2-5H2,1H3
InChIKeyWPWVWFGKULFPEP-UHFFFAOYSA-N
MW287.23 g/mol
LogP3.39
Rot. Bonds1

About 4-bromo-2-(8-methyl-3-azabicyclo[3.2.1]octan-3-yl)-1,3-thiazole

4-bromo-2-(8-methyl-3-azabicyclo[3.2.1]octan-3-yl)-1,3-thiazole (PubChem CID 145004465) has the molecular formula C11H15BrN2S and a molecular weight of 287.23 g/mol. Its IUPAC name is 4-bromo-2-(8-methyl-3-azabicyclo[3.2.1]octan-3-yl)-1,3-thiazole.

Molecular Properties

Compound Name4-bromo-2-(8-methyl-3-azabicyclo[3.2.1]octan-3-yl)-1,3-thiazole
PubChem CID145004465
Molecular FormulaC11H15BrN2S
Molecular Weight287.23 g/mol
Exact Mass286.01
IUPAC Name4-bromo-2-(8-methyl-3-azabicyclo[3.2.1]octan-3-yl)-1,3-thiazole
SMILESCC1C2CCC1CN(c1nc(Br)cs1)C2
InChIInChI=1S/C11H15BrN2S/c1-7-8-2-3-9(7)5-14(4-8)11-13-10(12)6-15-11/h6-9H,2-5H2,1H3
InChIKeyWPWVWFGKULFPEP-UHFFFAOYSA-N
XLogP3.39
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.23
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-(8-methyl-3-azabicyclo[3.2.1]octan-3-yl)-1,3-thiazole?
The IUPAC name of 4-bromo-2-(8-methyl-3-azabicyclo[3.2.1]octan-3-yl)-1,3-thiazole (CID 145004465) is 4-bromo-2-(8-methyl-3-azabicyclo[3.2.1]octan-3-yl)-1,3-thiazole.
What is the SMILES notation for 4-bromo-2-(8-methyl-3-azabicyclo[3.2.1]octan-3-yl)-1,3-thiazole?
The canonical SMILES for 4-bromo-2-(8-methyl-3-azabicyclo[3.2.1]octan-3-yl)-1,3-thiazole is CC1C2CCC1CN(c1nc(Br)cs1)C2.
What is the InChIKey of 4-bromo-2-(8-methyl-3-azabicyclo[3.2.1]octan-3-yl)-1,3-thiazole?
The InChIKey is WPWVWFGKULFPEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2S/c1-7-8-2-3-9(7)5-14(4-8)11-13-10(12)6-15-11/h6-9H,2-5H2,1H3.
What are the key properties of 4-bromo-2-(8-methyl-3-azabicyclo[3.2.1]octan-3-yl)-1,3-thiazole?
4-bromo-2-(8-methyl-3-azabicyclo[3.2.1]octan-3-yl)-1,3-thiazole has a molecular weight of 287.23 g/mol, XLogP of 3.39, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-(8-methyl-3-azabicyclo[3.2.1]octan-3-yl)-1,3-thiazole is sourced from PubChem (CID 145004465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).