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

C14H23N3OS — CID 66369662

IUPACN-[1-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-1,3-thiazol-4-yl]ethyl]propan-1-amine
SMILESCCCNC(C)c1csc(N2CC3CCC(C2)O3)n1
InChIInChI=1S/C14H23N3OS/c1-3-6-15-10(2)13-9-19-14(16-13)17-7-11-4-5-12(8-17)18-11/h9-12,15H,3-8H2,1-2H3
InChIKeyMCMUXIZCMMMFER-UHFFFAOYSA-N
MW281.42 g/mol
LogP2.57
Rot. Bonds5

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

N-[1-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-1,3-thiazol-4-yl]ethyl]propan-1-amine (PubChem CID 66369662) has the molecular formula C14H23N3OS and a molecular weight of 281.42 g/mol. Its IUPAC name is N-[1-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-1,3-thiazol-4-yl]ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-1,3-thiazol-4-yl]ethyl]propan-1-amine
PubChem CID66369662
Molecular FormulaC14H23N3OS
Molecular Weight281.42 g/mol
Exact Mass281.16
IUPAC NameN-[1-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-1,3-thiazol-4-yl]ethyl]propan-1-amine
SMILESCCCNC(C)c1csc(N2CC3CCC(C2)O3)n1
InChIInChI=1S/C14H23N3OS/c1-3-6-15-10(2)13-9-19-14(16-13)17-7-11-4-5-12(8-17)18-11/h9-12,15H,3-8H2,1-2H3
InChIKeyMCMUXIZCMMMFER-UHFFFAOYSA-N
XLogP2.57
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.42
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-1,3-thiazol-4-yl]ethanamine
CID 66369468
N-[1-[2-(2-methyl-1,4-oxazepan-4-yl)-1,3-thiazol-4-yl]ethyl]propan-1-amine
CID 64545187
N-[1-[2-(2,2,6-trimethylmorpholin-4-yl)-1,3-thiazol-4-yl]ethyl]propan-1-amine
CID 64545588
N-[1-[2-(3-propoxypiperidin-1-yl)-1,3-thiazol-4-yl]ethyl]propan-1-amine
CID 64544373
N-[1-[2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-1,3-thiazol-4-yl]ethyl]propan-1-amine
CID 65322394
N-[1-[2-(5-ethyl-2-methylmorpholin-4-yl)-1,3-thiazol-4-yl]ethyl]propan-1-amine
CID 64544974
N-[1-[2-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-1,3-thiazol-4-yl]ethyl]propan-1-amine
CID 64543767
N-ethyl-1-(2-thiomorpholin-4-yl-1,3-thiazol-4-yl)ethanamine
CID 64545146
N-[1-(2-ethyl-1,3-thiazol-4-yl)ethyl]propan-1-amine
CID 64544094
N-[1-[2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-1,3-thiazol-4-yl]ethyl]propan-1-amine
CID 64544175
N-ethyl-1-[2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)-1,3-thiazol-4-yl]ethanamine
CID 64543578
1-[2-(3,4-dimethylpiperazin-1-yl)-1,3-thiazol-4-yl]-N-ethylethanamine
CID 64543177

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-1,3-thiazol-4-yl]ethyl]propan-1-amine?
The IUPAC name of N-[1-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-1,3-thiazol-4-yl]ethyl]propan-1-amine (CID 66369662) is N-[1-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-1,3-thiazol-4-yl]ethyl]propan-1-amine.
What is the SMILES notation for N-[1-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-1,3-thiazol-4-yl]ethyl]propan-1-amine?
The canonical SMILES for N-[1-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-1,3-thiazol-4-yl]ethyl]propan-1-amine is CCCNC(C)c1csc(N2CC3CCC(C2)O3)n1.
What is the InChIKey of N-[1-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-1,3-thiazol-4-yl]ethyl]propan-1-amine?
The InChIKey is MCMUXIZCMMMFER-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3OS/c1-3-6-15-10(2)13-9-19-14(16-13)17-7-11-4-5-12(8-17)18-11/h9-12,15H,3-8H2,1-2H3.
What are the key properties of N-[1-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-1,3-thiazol-4-yl]ethyl]propan-1-amine?
N-[1-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-1,3-thiazol-4-yl]ethyl]propan-1-amine has a molecular weight of 281.42 g/mol, XLogP of 2.57, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-1,3-thiazol-4-yl]ethyl]propan-1-amine is sourced from PubChem (CID 66369662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).