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

C13H21N3S — CID 106039600

IUPAC8-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-8-azabicyclo[3.2.1]octan-3-amine
SMILESCc1nc(CCN2C3CCC2CC(N)C3)cs1
InChIInChI=1S/C13H21N3S/c1-9-15-11(8-17-9)4-5-16-12-2-3-13(16)7-10(14)6-12/h8,10,12-13H,2-7,14H2,1H3
InChIKeyXLEUITXSGOPVAC-UHFFFAOYSA-N
MW251.40 g/mol
LogP1.95
Rot. Bonds3

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

8-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-8-azabicyclo[3.2.1]octan-3-amine (PubChem CID 106039600) has the molecular formula C13H21N3S and a molecular weight of 251.40 g/mol. Its IUPAC name is 8-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-8-azabicyclo[3.2.1]octan-3-amine.

Molecular Properties

Compound Name8-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-8-azabicyclo[3.2.1]octan-3-amine
PubChem CID106039600
Molecular FormulaC13H21N3S
Molecular Weight251.40 g/mol
Exact Mass251.15
IUPAC Name8-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-8-azabicyclo[3.2.1]octan-3-amine
SMILESCc1nc(CCN2C3CCC2CC(N)C3)cs1
InChIInChI=1S/C13H21N3S/c1-9-15-11(8-17-9)4-5-16-12-2-3-13(16)7-10(14)6-12/h8,10,12-13H,2-7,14H2,1H3
InChIKeyXLEUITXSGOPVAC-UHFFFAOYSA-N
XLogP1.95
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.40
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrrolidin-3-yl]methanamine
CID 106033345
N-ethyl-8-[(2-methyl-1,3-thiazol-4-yl)methyl]-8-azabicyclo[3.2.1]octan-3-amine
CID 55107201
3-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]cyclopentane-1,3-diamine
CID 106039550
4-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclohexan-1-amine
CID 83262106
2-methyl-4-[2-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]ethyl]-1,3-thiazole
CID 129059210
1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanamine
CID 54898941
[1-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrrolidin-3-yl]methanol
CID 103880843
N,3-dimethyl-1-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]piperidin-4-amine
CID 106042299
1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone
CID 112680639
2-methyl-4-(2-piperazin-1-ylethyl)-1,3-thiazole
CID 82065439
2-[8-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]-8-azabicyclo[3.2.1]octan-3-yl]acetic acid
CID 79611899
5-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-3-amine
CID 79986577

Frequently Asked Questions

What is the IUPAC name of 8-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-8-azabicyclo[3.2.1]octan-3-amine?
The IUPAC name of 8-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-8-azabicyclo[3.2.1]octan-3-amine (CID 106039600) is 8-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-8-azabicyclo[3.2.1]octan-3-amine.
What is the SMILES notation for 8-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-8-azabicyclo[3.2.1]octan-3-amine?
The canonical SMILES for 8-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-8-azabicyclo[3.2.1]octan-3-amine is Cc1nc(CCN2C3CCC2CC(N)C3)cs1.
What is the InChIKey of 8-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-8-azabicyclo[3.2.1]octan-3-amine?
The InChIKey is XLEUITXSGOPVAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3S/c1-9-15-11(8-17-9)4-5-16-12-2-3-13(16)7-10(14)6-12/h8,10,12-13H,2-7,14H2,1H3.
What are the key properties of 8-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-8-azabicyclo[3.2.1]octan-3-amine?
8-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-8-azabicyclo[3.2.1]octan-3-amine has a molecular weight of 251.40 g/mol, XLogP of 1.95, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-8-azabicyclo[3.2.1]octan-3-amine is sourced from PubChem (CID 106039600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).