2-[1-[1-(1,3-thiazol-2-yl)ethyl]piperidin-2-yl]ethanamine

C12H21N3S — CID 64990640

IUPAC2-[1-[1-(1,3-thiazol-2-yl)ethyl]piperidin-2-yl]ethanamine
SMILESCC(c1nccs1)N1CCCCC1CCN
InChIInChI=1S/C12H21N3S/c1-10(12-14-7-9-16-12)15-8-3-2-4-11(15)5-6-13/h7,9-11H,2-6,8,13H2,1H3
InChIKeyCIKGAOZOBBSQMF-UHFFFAOYSA-N
MW239.39 g/mol
LogP2.41
Rot. Bonds4

About 2-[1-[1-(1,3-thiazol-2-yl)ethyl]piperidin-2-yl]ethanamine

2-[1-[1-(1,3-thiazol-2-yl)ethyl]piperidin-2-yl]ethanamine (PubChem CID 64990640) has the molecular formula C12H21N3S and a molecular weight of 239.39 g/mol. Its IUPAC name is 2-[1-[1-(1,3-thiazol-2-yl)ethyl]piperidin-2-yl]ethanamine.

Molecular Properties

Compound Name2-[1-[1-(1,3-thiazol-2-yl)ethyl]piperidin-2-yl]ethanamine
PubChem CID64990640
Molecular FormulaC12H21N3S
Molecular Weight239.39 g/mol
Exact Mass239.15
IUPAC Name2-[1-[1-(1,3-thiazol-2-yl)ethyl]piperidin-2-yl]ethanamine
SMILESCC(c1nccs1)N1CCCCC1CCN
InChIInChI=1S/C12H21N3S/c1-10(12-14-7-9-16-12)15-8-3-2-4-11(15)5-6-13/h7,9-11H,2-6,8,13H2,1H3
InChIKeyCIKGAOZOBBSQMF-UHFFFAOYSA-N
XLogP2.41
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.39
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-[1-(1,3-thiazol-2-yl)ethyl]piperidin-2-yl]ethanamine
CID 64990466
tert-butyl N-[[(2R)-1-[(1R)-1-(1,3-thiazol-2-yl)ethyl]pyrrolidin-2-yl]methyl]carbamate
CID 97175606
tert-butyl N-[[(2S)-1-[(1S)-1-(1,3-thiazol-2-yl)ethyl]pyrrolidin-2-yl]methyl]carbamate
CID 129460547
[(3S)-1-[(1R)-1-(1,3-thiazol-2-yl)ethyl]piperidin-3-yl]methanamine
CID 98085621
2-[1-(2-methylpropyl)piperidin-2-yl]-2-(1,3-thiazol-2-yl)ethanamine
CID 83987819
2-[1-(2-ethylpiperazin-1-yl)ethyl]-1,3-thiazole
CID 64932333
2-(1-propan-2-ylpyrrolidin-2-yl)ethanamine
CID 75089169
N-ethyl-2,3-dimethyl-1-[1-(1,3-thiazol-2-yl)ethyl]piperidin-4-amine
CID 79407315
(3S)-1-[1-(1,3-thiazol-2-yl)ethyl]pyrrolidin-3-amine;hydrochloride
CID 71637692
2-(1-propan-2-ylpiperidin-2-yl)-1,3-thiazole
CID 67986575
[(3S)-1-[(1R)-1-(1,3-thiazol-2-yl)ethyl]piperidin-3-yl]methanol
CID 86324532
N-[1-(1,3-thiazol-2-yl)ethyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine
CID 64993624

Frequently Asked Questions

What is the IUPAC name of 2-[1-[1-(1,3-thiazol-2-yl)ethyl]piperidin-2-yl]ethanamine?
The IUPAC name of 2-[1-[1-(1,3-thiazol-2-yl)ethyl]piperidin-2-yl]ethanamine (CID 64990640) is 2-[1-[1-(1,3-thiazol-2-yl)ethyl]piperidin-2-yl]ethanamine.
What is the SMILES notation for 2-[1-[1-(1,3-thiazol-2-yl)ethyl]piperidin-2-yl]ethanamine?
The canonical SMILES for 2-[1-[1-(1,3-thiazol-2-yl)ethyl]piperidin-2-yl]ethanamine is CC(c1nccs1)N1CCCCC1CCN.
What is the InChIKey of 2-[1-[1-(1,3-thiazol-2-yl)ethyl]piperidin-2-yl]ethanamine?
The InChIKey is CIKGAOZOBBSQMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3S/c1-10(12-14-7-9-16-12)15-8-3-2-4-11(15)5-6-13/h7,9-11H,2-6,8,13H2,1H3.
What are the key properties of 2-[1-[1-(1,3-thiazol-2-yl)ethyl]piperidin-2-yl]ethanamine?
2-[1-[1-(1,3-thiazol-2-yl)ethyl]piperidin-2-yl]ethanamine has a molecular weight of 239.39 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[1-(1,3-thiazol-2-yl)ethyl]piperidin-2-yl]ethanamine is sourced from PubChem (CID 64990640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).