1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-(4-methyl-1,3-thiazol-2-yl)ethanamine

C14H23N3S — CID 112681099

IUPAC1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-(4-methyl-1,3-thiazol-2-yl)ethanamine
SMILESCc1csc(CC(N)C2CC3CCC(C2)N3C)n1
InChIInChI=1S/C14H23N3S/c1-9-8-18-14(16-9)7-13(15)10-5-11-3-4-12(6-10)17(11)2/h8,10-13H,3-7,15H2,1-2H3
InChIKeyGVRXTLSPHSGCSE-UHFFFAOYSA-N
MW265.43 g/mol
LogP2.19
Rot. Bonds3

About 1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-(4-methyl-1,3-thiazol-2-yl)ethanamine

1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-(4-methyl-1,3-thiazol-2-yl)ethanamine (PubChem CID 112681099) has the molecular formula C14H23N3S and a molecular weight of 265.43 g/mol. Its IUPAC name is 1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-(4-methyl-1,3-thiazol-2-yl)ethanamine.

Molecular Properties

Compound Name1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-(4-methyl-1,3-thiazol-2-yl)ethanamine
PubChem CID112681099
Molecular FormulaC14H23N3S
Molecular Weight265.43 g/mol
Exact Mass265.16
IUPAC Name1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-(4-methyl-1,3-thiazol-2-yl)ethanamine
SMILESCc1csc(CC(N)C2CC3CCC(C2)N3C)n1
InChIInChI=1S/C14H23N3S/c1-9-8-18-14(16-9)7-13(15)10-5-11-3-4-12(6-10)17(11)2/h8,10-13H,3-7,15H2,1-2H3
InChIKeyGVRXTLSPHSGCSE-UHFFFAOYSA-N
XLogP2.19
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.43
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-(4-methyl-1,3-thiazol-2-yl)ethanamine with MolForge

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Related Compounds

1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]methanamine
CID 104769990
1-(2-ethylcyclohexyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanamine
CID 55252390
1-(1,4-dioxan-2-yl)-2-(4-methyl-1,3-thiazol-2-yl)ethanamine
CID 115825359
2-cyclopentyl-3-(4-methyl-1,3-thiazol-2-yl)propan-1-ol
CID 112570284
3-methyl-1-(4-methyl-1,3-thiazol-2-yl)butan-2-amine
CID 62797218
[1-(4,4-dimethylcyclohexyl)-2-(4-methyl-1,3-thiazol-2-yl)ethyl]hydrazine
CID 105231723
2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)ethanol
CID 112680767
2-amino-2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)ethanol
CID 83906870
1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]ethanamine
CID 115998010
(2S)-1-(4-methyl-1,3-thiazol-2-yl)pentan-2-amine
CID 94605824
3-amino-3-methyl-1-(4-methyl-1,3-thiazol-2-yl)butan-2-ol
CID 130589293
2-[(2,4-dimethylazetidin-1-yl)methyl]-4-methyl-1,3-thiazole
CID 131132321

Frequently Asked Questions

What is the IUPAC name of 1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-(4-methyl-1,3-thiazol-2-yl)ethanamine?
The IUPAC name of 1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-(4-methyl-1,3-thiazol-2-yl)ethanamine (CID 112681099) is 1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-(4-methyl-1,3-thiazol-2-yl)ethanamine.
What is the SMILES notation for 1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-(4-methyl-1,3-thiazol-2-yl)ethanamine?
The canonical SMILES for 1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-(4-methyl-1,3-thiazol-2-yl)ethanamine is Cc1csc(CC(N)C2CC3CCC(C2)N3C)n1.
What is the InChIKey of 1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-(4-methyl-1,3-thiazol-2-yl)ethanamine?
The InChIKey is GVRXTLSPHSGCSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3S/c1-9-8-18-14(16-9)7-13(15)10-5-11-3-4-12(6-10)17(11)2/h8,10-13H,3-7,15H2,1-2H3.
What are the key properties of 1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-(4-methyl-1,3-thiazol-2-yl)ethanamine?
1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-(4-methyl-1,3-thiazol-2-yl)ethanamine has a molecular weight of 265.43 g/mol, XLogP of 2.19, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-(4-methyl-1,3-thiazol-2-yl)ethanamine is sourced from PubChem (CID 112681099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).