8-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-8-azabicyclo[3.2.1]octan-3-amine

C14H23N3S — CID 55106720

IUPAC8-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-8-azabicyclo[3.2.1]octan-3-amine
SMILESCc1nc(C)c(C(C)N2C3CCC2CC(N)C3)s1
InChIInChI=1S/C14H23N3S/c1-8-14(18-10(3)16-8)9(2)17-12-4-5-13(17)7-11(15)6-12/h9,11-13H,4-7,15H2,1-3H3
InChIKeyGUVNCYCHVDJZIH-UHFFFAOYSA-N
MW265.43 g/mol
LogP2.78
Rot. Bonds2

About 8-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-8-azabicyclo[3.2.1]octan-3-amine

8-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-8-azabicyclo[3.2.1]octan-3-amine (PubChem CID 55106720) has the molecular formula C14H23N3S and a molecular weight of 265.43 g/mol. Its IUPAC name is 8-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-8-azabicyclo[3.2.1]octan-3-amine.

Molecular Properties

Compound Name8-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-8-azabicyclo[3.2.1]octan-3-amine
PubChem CID55106720
Molecular FormulaC14H23N3S
Molecular Weight265.43 g/mol
Exact Mass265.16
IUPAC Name8-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-8-azabicyclo[3.2.1]octan-3-amine
SMILESCc1nc(C)c(C(C)N2C3CCC2CC(N)C3)s1
InChIInChI=1S/C14H23N3S/c1-8-14(18-10(3)16-8)9(2)17-12-4-5-13(17)7-11(15)6-12/h9,11-13H,4-7,15H2,1-3H3
InChIKeyGUVNCYCHVDJZIH-UHFFFAOYSA-N
XLogP2.78
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.43
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-8-azabicyclo[3.2.1]octan-3-amine?
The IUPAC name of 8-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-8-azabicyclo[3.2.1]octan-3-amine (CID 55106720) is 8-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-8-azabicyclo[3.2.1]octan-3-amine.
What is the SMILES notation for 8-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-8-azabicyclo[3.2.1]octan-3-amine?
The canonical SMILES for 8-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-8-azabicyclo[3.2.1]octan-3-amine is Cc1nc(C)c(C(C)N2C3CCC2CC(N)C3)s1.
What is the InChIKey of 8-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-8-azabicyclo[3.2.1]octan-3-amine?
The InChIKey is GUVNCYCHVDJZIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3S/c1-8-14(18-10(3)16-8)9(2)17-12-4-5-13(17)7-11(15)6-12/h9,11-13H,4-7,15H2,1-3H3.
What are the key properties of 8-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-8-azabicyclo[3.2.1]octan-3-amine?
8-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-8-azabicyclo[3.2.1]octan-3-amine has a molecular weight of 265.43 g/mol, XLogP of 2.78, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-8-azabicyclo[3.2.1]octan-3-amine is sourced from PubChem (CID 55106720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).