3-(5-bromo-1,3-thiazol-2-yl)bicyclo[1.1.1]pentan-1-amine

C8H9BrN2S — CID 167081567

IUPAC3-(5-bromo-1,3-thiazol-2-yl)bicyclo[1.1.1]pentan-1-amine
SMILESNC12CC(c3ncc(Br)s3)(C1)C2
InChIInChI=1S/C8H9BrN2S/c9-5-1-11-6(12-5)7-2-8(10,3-7)4-7/h1H,2-4,10H2
InChIKeyUEWQREDAKZIGRG-UHFFFAOYSA-N
MW245.14 g/mol
LogP2.04
Rot. Bonds1

About 3-(5-bromo-1,3-thiazol-2-yl)bicyclo[1.1.1]pentan-1-amine

3-(5-bromo-1,3-thiazol-2-yl)bicyclo[1.1.1]pentan-1-amine (PubChem CID 167081567) has the molecular formula C8H9BrN2S and a molecular weight of 245.14 g/mol. Its IUPAC name is 3-(5-bromo-1,3-thiazol-2-yl)bicyclo[1.1.1]pentan-1-amine.

Molecular Properties

Compound Name3-(5-bromo-1,3-thiazol-2-yl)bicyclo[1.1.1]pentan-1-amine
PubChem CID167081567
Molecular FormulaC8H9BrN2S
Molecular Weight245.14 g/mol
Exact Mass243.97
IUPAC Name3-(5-bromo-1,3-thiazol-2-yl)bicyclo[1.1.1]pentan-1-amine
SMILESNC12CC(c3ncc(Br)s3)(C1)C2
InChIInChI=1S/C8H9BrN2S/c9-5-1-11-6(12-5)7-2-8(10,3-7)4-7/h1H,2-4,10H2
InChIKeyUEWQREDAKZIGRG-UHFFFAOYSA-N
XLogP2.04
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.14
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(5-bromo-1,3-thiazol-2-yl)bicyclo[1.1.1]pentan-1-amine?
The IUPAC name of 3-(5-bromo-1,3-thiazol-2-yl)bicyclo[1.1.1]pentan-1-amine (CID 167081567) is 3-(5-bromo-1,3-thiazol-2-yl)bicyclo[1.1.1]pentan-1-amine.
What is the SMILES notation for 3-(5-bromo-1,3-thiazol-2-yl)bicyclo[1.1.1]pentan-1-amine?
The canonical SMILES for 3-(5-bromo-1,3-thiazol-2-yl)bicyclo[1.1.1]pentan-1-amine is NC12CC(c3ncc(Br)s3)(C1)C2.
What is the InChIKey of 3-(5-bromo-1,3-thiazol-2-yl)bicyclo[1.1.1]pentan-1-amine?
The InChIKey is UEWQREDAKZIGRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BrN2S/c9-5-1-11-6(12-5)7-2-8(10,3-7)4-7/h1H,2-4,10H2.
What are the key properties of 3-(5-bromo-1,3-thiazol-2-yl)bicyclo[1.1.1]pentan-1-amine?
3-(5-bromo-1,3-thiazol-2-yl)bicyclo[1.1.1]pentan-1-amine has a molecular weight of 245.14 g/mol, XLogP of 2.04, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-bromo-1,3-thiazol-2-yl)bicyclo[1.1.1]pentan-1-amine is sourced from PubChem (CID 167081567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).