2-[1-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-3-yl]ethanamine

C12H21N3S — CID 65168736

IUPAC2-[1-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-3-yl]ethanamine
SMILESCc1nc(N2CCCC(CCN)C2)sc1C
InChIInChI=1S/C12H21N3S/c1-9-10(2)16-12(14-9)15-7-3-4-11(8-15)5-6-13/h11H,3-8,13H2,1-2H3
InChIKeyOLKDKVGMARSORP-UHFFFAOYSA-N
MW239.39 g/mol
LogP2.33
Rot. Bonds3

About 2-[1-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-3-yl]ethanamine

2-[1-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-3-yl]ethanamine (PubChem CID 65168736) has the molecular formula C12H21N3S and a molecular weight of 239.39 g/mol. Its IUPAC name is 2-[1-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-3-yl]ethanamine.

Molecular Properties

Compound Name2-[1-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-3-yl]ethanamine
PubChem CID65168736
Molecular FormulaC12H21N3S
Molecular Weight239.39 g/mol
Exact Mass239.15
IUPAC Name2-[1-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-3-yl]ethanamine
SMILESCc1nc(N2CCCC(CCN)C2)sc1C
InChIInChI=1S/C12H21N3S/c1-9-10(2)16-12(14-9)15-7-3-4-11(8-15)5-6-13/h11H,3-8,13H2,1-2H3
InChIKeyOLKDKVGMARSORP-UHFFFAOYSA-N
XLogP2.33
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 ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-3-amine
CID 65168620
2-[(3S)-1-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]piperidin-3-yl]ethanamine
CID 124517257
ethyl 1-(4,5-dimethyl-1,3-thiazol-2-yl)piperidine-3-carboxylate
CID 65168577
1-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-4-amine
CID 65169125
2-[1-(3-methylpyrazin-2-yl)piperidin-3-yl]ethanamine
CID 83065103
4-[4-(4,5-dimethyl-1,3-thiazol-2-yl)-1,4-diazepan-1-yl]butan-1-amine
CID 65169838
4,5-dimethyl-2-(3-pyrrolidin-2-ylpiperidin-1-yl)-1,3-thiazole
CID 65168397
2-[1-(4-ethyl-1,3-thiazol-2-yl)pyrrolidin-3-yl]ethanamine
CID 114802425
2-[1-(5-chloro-2-methylpyrimidin-4-yl)piperidin-3-yl]ethanamine
CID 137334359
[1-(4,5-dimethyl-1,3-thiazol-2-yl)-4-methylpiperazin-2-yl]methanamine
CID 80506443
2-[1-(4-methoxypyrimidin-2-yl)piperidin-3-yl]ethanamine
CID 63761850
4,5-dimethyl-2-[(3R)-3-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]-1,3-thiazole
CID 164639571

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-3-yl]ethanamine?
The IUPAC name of 2-[1-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-3-yl]ethanamine (CID 65168736) is 2-[1-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-3-yl]ethanamine.
What is the SMILES notation for 2-[1-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-3-yl]ethanamine?
The canonical SMILES for 2-[1-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-3-yl]ethanamine is Cc1nc(N2CCCC(CCN)C2)sc1C.
What is the InChIKey of 2-[1-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-3-yl]ethanamine?
The InChIKey is OLKDKVGMARSORP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3S/c1-9-10(2)16-12(14-9)15-7-3-4-11(8-15)5-6-13/h11H,3-8,13H2,1-2H3.
What are the key properties of 2-[1-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-3-yl]ethanamine?
2-[1-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-3-yl]ethanamine has a molecular weight of 239.39 g/mol, XLogP of 2.33, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-3-yl]ethanamine is sourced from PubChem (CID 65168736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).