3-(4-methyl-1,3-thiazol-2-yl)-N-propyl-1-azabicyclo[2.2.2]octan-3-amine

C14H23N3S — CID 61330650

IUPAC3-(4-methyl-1,3-thiazol-2-yl)-N-propyl-1-azabicyclo[2.2.2]octan-3-amine
SMILESCCCNC1(c2nc(C)cs2)CN2CCC1CC2
InChIInChI=1S/C14H23N3S/c1-3-6-15-14(13-16-11(2)9-18-13)10-17-7-4-12(14)5-8-17/h9,12,15H,3-8,10H2,1-2H3
InChIKeyFFIVWXFPEOEDFA-UHFFFAOYSA-N
MW265.43 g/mol
LogP2.37
Rot. Bonds4

About 3-(4-methyl-1,3-thiazol-2-yl)-N-propyl-1-azabicyclo[2.2.2]octan-3-amine

3-(4-methyl-1,3-thiazol-2-yl)-N-propyl-1-azabicyclo[2.2.2]octan-3-amine (PubChem CID 61330650) has the molecular formula C14H23N3S and a molecular weight of 265.43 g/mol. Its IUPAC name is 3-(4-methyl-1,3-thiazol-2-yl)-N-propyl-1-azabicyclo[2.2.2]octan-3-amine.

Molecular Properties

Compound Name3-(4-methyl-1,3-thiazol-2-yl)-N-propyl-1-azabicyclo[2.2.2]octan-3-amine
PubChem CID61330650
Molecular FormulaC14H23N3S
Molecular Weight265.43 g/mol
Exact Mass265.16
IUPAC Name3-(4-methyl-1,3-thiazol-2-yl)-N-propyl-1-azabicyclo[2.2.2]octan-3-amine
SMILESCCCNC1(c2nc(C)cs2)CN2CCC1CC2
InChIInChI=1S/C14H23N3S/c1-3-6-15-14(13-16-11(2)9-18-13)10-17-7-4-12(14)5-8-17/h9,12,15H,3-8,10H2,1-2H3
InChIKeyFFIVWXFPEOEDFA-UHFFFAOYSA-N
XLogP2.37
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.43
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methyl-1,3-thiazol-2-yl)-N-propyl-1-azabicyclo[2.2.2]octan-3-amine?
The IUPAC name of 3-(4-methyl-1,3-thiazol-2-yl)-N-propyl-1-azabicyclo[2.2.2]octan-3-amine (CID 61330650) is 3-(4-methyl-1,3-thiazol-2-yl)-N-propyl-1-azabicyclo[2.2.2]octan-3-amine.
What is the SMILES notation for 3-(4-methyl-1,3-thiazol-2-yl)-N-propyl-1-azabicyclo[2.2.2]octan-3-amine?
The canonical SMILES for 3-(4-methyl-1,3-thiazol-2-yl)-N-propyl-1-azabicyclo[2.2.2]octan-3-amine is CCCNC1(c2nc(C)cs2)CN2CCC1CC2.
What is the InChIKey of 3-(4-methyl-1,3-thiazol-2-yl)-N-propyl-1-azabicyclo[2.2.2]octan-3-amine?
The InChIKey is FFIVWXFPEOEDFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3S/c1-3-6-15-14(13-16-11(2)9-18-13)10-17-7-4-12(14)5-8-17/h9,12,15H,3-8,10H2,1-2H3.
What are the key properties of 3-(4-methyl-1,3-thiazol-2-yl)-N-propyl-1-azabicyclo[2.2.2]octan-3-amine?
3-(4-methyl-1,3-thiazol-2-yl)-N-propyl-1-azabicyclo[2.2.2]octan-3-amine has a molecular weight of 265.43 g/mol, XLogP of 2.37, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methyl-1,3-thiazol-2-yl)-N-propyl-1-azabicyclo[2.2.2]octan-3-amine is sourced from PubChem (CID 61330650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).