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

C8H10N2S — CID 122237037

IUPAC3-(1,3-thiazol-2-yl)bicyclo[1.1.1]pentan-1-amine
SMILESNC12CC(c3nccs3)(C1)C2
InChIInChI=1S/C8H10N2S/c9-8-3-7(4-8,5-8)6-10-1-2-11-6/h1-2H,3-5,9H2
InChIKeyDYBMRKJQHVPGRO-UHFFFAOYSA-N
MW166.25 g/mol
LogP1.28
Rot. Bonds1

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

3-(1,3-thiazol-2-yl)bicyclo[1.1.1]pentan-1-amine (PubChem CID 122237037) has the molecular formula C8H10N2S and a molecular weight of 166.25 g/mol. Its IUPAC name is 3-(1,3-thiazol-2-yl)bicyclo[1.1.1]pentan-1-amine.

Molecular Properties

Compound Name3-(1,3-thiazol-2-yl)bicyclo[1.1.1]pentan-1-amine
PubChem CID122237037
Molecular FormulaC8H10N2S
Molecular Weight166.25 g/mol
Exact Mass166.06
IUPAC Name3-(1,3-thiazol-2-yl)bicyclo[1.1.1]pentan-1-amine
SMILESNC12CC(c3nccs3)(C1)C2
InChIInChI=1S/C8H10N2S/c9-8-3-7(4-8,5-8)6-10-1-2-11-6/h1-2H,3-5,9H2
InChIKeyDYBMRKJQHVPGRO-UHFFFAOYSA-N
XLogP1.28
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.25
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(1,3-thiazol-2-yl)bicyclo[1.1.1]pentan-1-amine?
The IUPAC name of 3-(1,3-thiazol-2-yl)bicyclo[1.1.1]pentan-1-amine (CID 122237037) is 3-(1,3-thiazol-2-yl)bicyclo[1.1.1]pentan-1-amine.
What is the SMILES notation for 3-(1,3-thiazol-2-yl)bicyclo[1.1.1]pentan-1-amine?
The canonical SMILES for 3-(1,3-thiazol-2-yl)bicyclo[1.1.1]pentan-1-amine is NC12CC(c3nccs3)(C1)C2.
What is the InChIKey of 3-(1,3-thiazol-2-yl)bicyclo[1.1.1]pentan-1-amine?
The InChIKey is DYBMRKJQHVPGRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2S/c9-8-3-7(4-8,5-8)6-10-1-2-11-6/h1-2H,3-5,9H2.
What are the key properties of 3-(1,3-thiazol-2-yl)bicyclo[1.1.1]pentan-1-amine?
3-(1,3-thiazol-2-yl)bicyclo[1.1.1]pentan-1-amine has a molecular weight of 166.25 g/mol, XLogP of 1.28, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-thiazol-2-yl)bicyclo[1.1.1]pentan-1-amine is sourced from PubChem (CID 122237037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).