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

C12H21N3S — CID 64990466

IUPAC1-[1-[1-(1,3-thiazol-2-yl)ethyl]piperidin-2-yl]ethanamine
SMILESCC(N)C1CCCCN1C(C)c1nccs1
InChIInChI=1S/C12H21N3S/c1-9(13)11-5-3-4-7-15(11)10(2)12-14-6-8-16-12/h6,8-11H,3-5,7,13H2,1-2H3
InChIKeyODNUOGTUQONWPT-UHFFFAOYSA-N
MW239.39 g/mol
LogP2.41
Rot. Bonds3

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

1-[1-[1-(1,3-thiazol-2-yl)ethyl]piperidin-2-yl]ethanamine (PubChem CID 64990466) has the molecular formula C12H21N3S and a molecular weight of 239.39 g/mol. Its IUPAC name is 1-[1-[1-(1,3-thiazol-2-yl)ethyl]piperidin-2-yl]ethanamine.

Molecular Properties

Compound Name1-[1-[1-(1,3-thiazol-2-yl)ethyl]piperidin-2-yl]ethanamine
PubChem CID64990466
Molecular FormulaC12H21N3S
Molecular Weight239.39 g/mol
Exact Mass239.15
IUPAC Name1-[1-[1-(1,3-thiazol-2-yl)ethyl]piperidin-2-yl]ethanamine
SMILESCC(N)C1CCCCN1C(C)c1nccs1
InChIInChI=1S/C12H21N3S/c1-9(13)11-5-3-4-7-15(11)10(2)12-14-6-8-16-12/h6,8-11H,3-5,7,13H2,1-2H3
InChIKeyODNUOGTUQONWPT-UHFFFAOYSA-N
XLogP2.41
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
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

2-[1-[1-(1,3-thiazol-2-yl)ethyl]piperidin-2-yl]ethanamine
CID 64990640
2-[1-(2-methylpropyl)piperidin-2-yl]-2-(1,3-thiazol-2-yl)ethanamine
CID 83987819
1-[1-[1-(1-ethylpyrazol-4-yl)ethyl]piperidin-2-yl]ethanamine
CID 63255319
4-[1-[2-(1-aminoethyl)piperidin-1-yl]ethyl]phenol
CID 55169337
(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]methanamine
CID 98085621
(3R)-N-methyl-1-[(1R)-1-(1,3-thiazol-2-yl)ethyl]piperidin-3-amine
CID 129427482
1-[1-[1-(4-ethylphenyl)ethyl]piperidin-2-yl]ethanamine
CID 63254747
2-[2-(1-aminoethyl)piperidin-1-yl]propan-1-ol
CID 130502556
(3S)-1-[(1S)-1-(1,3-thiazol-2-yl)ethyl]piperidine-3-carboxylic acid
CID 96925793
(3S)-1-[(1R)-1-(1,3-thiazol-2-yl)ethyl]pyrrolidin-3-ol
CID 86329851

Frequently Asked Questions

What is the IUPAC name of 1-[1-[1-(1,3-thiazol-2-yl)ethyl]piperidin-2-yl]ethanamine?
The IUPAC name of 1-[1-[1-(1,3-thiazol-2-yl)ethyl]piperidin-2-yl]ethanamine (CID 64990466) is 1-[1-[1-(1,3-thiazol-2-yl)ethyl]piperidin-2-yl]ethanamine.
What is the SMILES notation for 1-[1-[1-(1,3-thiazol-2-yl)ethyl]piperidin-2-yl]ethanamine?
The canonical SMILES for 1-[1-[1-(1,3-thiazol-2-yl)ethyl]piperidin-2-yl]ethanamine is CC(N)C1CCCCN1C(C)c1nccs1.
What is the InChIKey of 1-[1-[1-(1,3-thiazol-2-yl)ethyl]piperidin-2-yl]ethanamine?
The InChIKey is ODNUOGTUQONWPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3S/c1-9(13)11-5-3-4-7-15(11)10(2)12-14-6-8-16-12/h6,8-11H,3-5,7,13H2,1-2H3.
What are the key properties of 1-[1-[1-(1,3-thiazol-2-yl)ethyl]piperidin-2-yl]ethanamine?
1-[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, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[1-(1,3-thiazol-2-yl)ethyl]piperidin-2-yl]ethanamine is sourced from PubChem (CID 64990466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).