2-[6-(azocan-1-yl)imidazo[2,1-b][1,3]thiazol-5-yl]ethanamine

C14H22N4S — CID 55236378

IUPAC2-[6-(azocan-1-yl)imidazo[2,1-b][1,3]thiazol-5-yl]ethanamine
SMILESNCCc1c(N2CCCCCCC2)nc2sccn12
InChIInChI=1S/C14H22N4S/c15-7-6-12-13(16-14-18(12)10-11-19-14)17-8-4-2-1-3-5-9-17/h10-11H,1-9,15H2
InChIKeyUPIMGCDYJYIBSQ-UHFFFAOYSA-N
MW278.42 g/mol
LogP2.67
Rot. Bonds3

About 2-[6-(azocan-1-yl)imidazo[2,1-b][1,3]thiazol-5-yl]ethanamine

2-[6-(azocan-1-yl)imidazo[2,1-b][1,3]thiazol-5-yl]ethanamine (PubChem CID 55236378) has the molecular formula C14H22N4S and a molecular weight of 278.42 g/mol. Its IUPAC name is 2-[6-(azocan-1-yl)imidazo[2,1-b][1,3]thiazol-5-yl]ethanamine.

Molecular Properties

Compound Name2-[6-(azocan-1-yl)imidazo[2,1-b][1,3]thiazol-5-yl]ethanamine
PubChem CID55236378
Molecular FormulaC14H22N4S
Molecular Weight278.42 g/mol
Exact Mass278.16
IUPAC Name2-[6-(azocan-1-yl)imidazo[2,1-b][1,3]thiazol-5-yl]ethanamine
SMILESNCCc1c(N2CCCCCCC2)nc2sccn12
InChIInChI=1S/C14H22N4S/c15-7-6-12-13(16-14-18(12)10-11-19-14)17-8-4-2-1-3-5-9-17/h10-11H,1-9,15H2
InChIKeyUPIMGCDYJYIBSQ-UHFFFAOYSA-N
XLogP2.67
TPSA46.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.42
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[6-(8-azaspiro[4.5]decan-8-yl)imidazo[2,1-b][1,3]thiazol-5-yl]ethanamine
CID 63783269
2-[6-(1-oxo-1,4-thiazinan-4-yl)imidazo[2,1-b][1,3]thiazol-5-yl]ethanamine
CID 63786021
[6-(azepan-1-yl)imidazo[2,1-b][1,3]thiazol-5-yl]methanol
CID 16779989
1-(6-piperidin-1-ylimidazo[2,1-b][1,3]thiazol-5-yl)propan-2-amine
CID 63785604
2-[6-(3,4-dimethylpyrrolidin-1-yl)imidazo[2,1-b][1,3]thiazol-5-yl]ethanamine
CID 79183495
2-[6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]imidazo[2,1-b][1,3]thiazol-5-yl]ethanamine
CID 104961298
N-methyl-1-(6-pyrrolidin-1-ylimidazo[2,1-b][1,3]thiazol-5-yl)methanamine
CID 43476211
[6-(3-azaspiro[5.5]undecan-3-yl)imidazo[2,1-b][1,3]thiazol-5-yl]methanamine
CID 62931604
(6-thiomorpholin-4-ylimidazo[2,1-b][1,3]thiazol-5-yl)methanamine
CID 43476395
2-[6-(2,3-dimethylpiperidin-1-yl)imidazo[2,1-b][1,3]thiazol-5-yl]ethanamine
CID 63783425
[6-(4-ethylpiperazin-1-yl)imidazo[2,1-b][1,3]thiazol-5-yl]methanamine
CID 43476364
2-[6-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)imidazo[2,1-b][1,3]thiazol-5-yl]ethanamine
CID 63786542

Frequently Asked Questions

What is the IUPAC name of 2-[6-(azocan-1-yl)imidazo[2,1-b][1,3]thiazol-5-yl]ethanamine?
The IUPAC name of 2-[6-(azocan-1-yl)imidazo[2,1-b][1,3]thiazol-5-yl]ethanamine (CID 55236378) is 2-[6-(azocan-1-yl)imidazo[2,1-b][1,3]thiazol-5-yl]ethanamine.
What is the SMILES notation for 2-[6-(azocan-1-yl)imidazo[2,1-b][1,3]thiazol-5-yl]ethanamine?
The canonical SMILES for 2-[6-(azocan-1-yl)imidazo[2,1-b][1,3]thiazol-5-yl]ethanamine is NCCc1c(N2CCCCCCC2)nc2sccn12.
What is the InChIKey of 2-[6-(azocan-1-yl)imidazo[2,1-b][1,3]thiazol-5-yl]ethanamine?
The InChIKey is UPIMGCDYJYIBSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4S/c15-7-6-12-13(16-14-18(12)10-11-19-14)17-8-4-2-1-3-5-9-17/h10-11H,1-9,15H2.
What are the key properties of 2-[6-(azocan-1-yl)imidazo[2,1-b][1,3]thiazol-5-yl]ethanamine?
2-[6-(azocan-1-yl)imidazo[2,1-b][1,3]thiazol-5-yl]ethanamine has a molecular weight of 278.42 g/mol, XLogP of 2.67, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(azocan-1-yl)imidazo[2,1-b][1,3]thiazol-5-yl]ethanamine is sourced from PubChem (CID 55236378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).