8-[(2-methyl-1,3-thiazol-5-yl)methyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine

C15H25N3S — CID 55107249

IUPAC8-[(2-methyl-1,3-thiazol-5-yl)methyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
SMILESCCCNC1CC2CCC(C1)N2Cc1cnc(C)s1
InChIInChI=1S/C15H25N3S/c1-3-6-16-12-7-13-4-5-14(8-12)18(13)10-15-9-17-11(2)19-15/h9,12-14,16H,3-8,10H2,1-2H3
InChIKeyMZNBQBCOSYIGGR-UHFFFAOYSA-N
MW279.45 g/mol
LogP2.95
Rot. Bonds5

About 8-[(2-methyl-1,3-thiazol-5-yl)methyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine

8-[(2-methyl-1,3-thiazol-5-yl)methyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine (PubChem CID 55107249) has the molecular formula C15H25N3S and a molecular weight of 279.45 g/mol. Its IUPAC name is 8-[(2-methyl-1,3-thiazol-5-yl)methyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine.

Molecular Properties

Compound Name8-[(2-methyl-1,3-thiazol-5-yl)methyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
PubChem CID55107249
Molecular FormulaC15H25N3S
Molecular Weight279.45 g/mol
Exact Mass279.18
IUPAC Name8-[(2-methyl-1,3-thiazol-5-yl)methyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
SMILESCCCNC1CC2CCC(C1)N2Cc1cnc(C)s1
InChIInChI=1S/C15H25N3S/c1-3-6-16-12-7-13-4-5-14(8-12)18(13)10-15-9-17-11(2)19-15/h9,12-14,16H,3-8,10H2,1-2H3
InChIKeyMZNBQBCOSYIGGR-UHFFFAOYSA-N
XLogP2.95
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.45
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 8-[(2-methyl-1,3-thiazol-5-yl)methyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine with MolForge

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Related Compounds

8-[(5-methyl-1,3-oxazol-2-yl)methyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
CID 106376421
8-[(4-methyl-3-pyridinyl)methyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
CID 114957602
N-propyl-8-(pyridin-2-ylmethyl)-8-azabicyclo[3.2.1]octan-3-amine
CID 62740133
N-propyl-8-(pyridin-3-ylmethyl)-8-azabicyclo[3.2.1]octan-3-amine
CID 62740890
8-[(4-chlorophenyl)methyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
CID 62739990
8-[(2-fluorophenyl)methyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
CID 62739080
N-propyl-8-(pyridazin-3-ylmethyl)-8-azabicyclo[3.2.1]octan-3-amine
CID 106897823
9-(1,2-oxazol-3-ylmethyl)-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 81173487
8-butyl-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
CID 62741055
N-propyl-8-pyrimidin-5-yl-8-azabicyclo[3.2.1]octan-3-amine
CID 107590090
N-ethyl-8-[(2-methyl-1,3-thiazol-4-yl)methyl]-8-azabicyclo[3.2.1]octan-3-amine
CID 55107201
9-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 106302597

Frequently Asked Questions

What is the IUPAC name of 8-[(2-methyl-1,3-thiazol-5-yl)methyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine?
The IUPAC name of 8-[(2-methyl-1,3-thiazol-5-yl)methyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine (CID 55107249) is 8-[(2-methyl-1,3-thiazol-5-yl)methyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine.
What is the SMILES notation for 8-[(2-methyl-1,3-thiazol-5-yl)methyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine?
The canonical SMILES for 8-[(2-methyl-1,3-thiazol-5-yl)methyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine is CCCNC1CC2CCC(C1)N2Cc1cnc(C)s1.
What is the InChIKey of 8-[(2-methyl-1,3-thiazol-5-yl)methyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine?
The InChIKey is MZNBQBCOSYIGGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3S/c1-3-6-16-12-7-13-4-5-14(8-12)18(13)10-15-9-17-11(2)19-15/h9,12-14,16H,3-8,10H2,1-2H3.
What are the key properties of 8-[(2-methyl-1,3-thiazol-5-yl)methyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine?
8-[(2-methyl-1,3-thiazol-5-yl)methyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine has a molecular weight of 279.45 g/mol, XLogP of 2.95, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(2-methyl-1,3-thiazol-5-yl)methyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine is sourced from PubChem (CID 55107249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).