2-amino-1-[3-(1,3-thiazol-2-yl)piperidin-1-yl]ethanone;dihydrochloride

C10H17Cl2N3OS — CID 119873436

IUPAC2-amino-1-[3-(1,3-thiazol-2-yl)piperidin-1-yl]ethanone;dihydrochloride
SMILESCl.Cl.NCC(=O)N1CCCC(c2nccs2)C1
InChIInChI=1S/C10H15N3OS.2ClH/c11-6-9(14)13-4-1-2-8(7-13)10-12-3-5-15-10;;/h3,5,8H,1-2,4,6-7,11H2;2*1H
InChIKeyLTRLNNGSHWNOJJ-UHFFFAOYSA-N
MW298.24 g/mol
LogP1.65
Rot. Bonds2

About 2-amino-1-[3-(1,3-thiazol-2-yl)piperidin-1-yl]ethanone;dihydrochloride

2-amino-1-[3-(1,3-thiazol-2-yl)piperidin-1-yl]ethanone;dihydrochloride (PubChem CID 119873436) has the molecular formula C10H17Cl2N3OS and a molecular weight of 298.24 g/mol. Its IUPAC name is 2-amino-1-[3-(1,3-thiazol-2-yl)piperidin-1-yl]ethanone;dihydrochloride.

Molecular Properties

Compound Name2-amino-1-[3-(1,3-thiazol-2-yl)piperidin-1-yl]ethanone;dihydrochloride
PubChem CID119873436
Molecular FormulaC10H17Cl2N3OS
Molecular Weight298.24 g/mol
Exact Mass297.05
IUPAC Name2-amino-1-[3-(1,3-thiazol-2-yl)piperidin-1-yl]ethanone;dihydrochloride
SMILESCl.Cl.NCC(=O)N1CCCC(c2nccs2)C1
InChIInChI=1S/C10H15N3OS.2ClH/c11-6-9(14)13-4-1-2-8(7-13)10-12-3-5-15-10;;/h3,5,8H,1-2,4,6-7,11H2;2*1H
InChIKeyLTRLNNGSHWNOJJ-UHFFFAOYSA-N
XLogP1.65
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.24
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(1,3-thiazol-2-yl)azepane-1-carboxamide
CID 67258050
(2R)-2-amino-1-[3-(1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one;dihydrochloride
CID 119873434
1-[2-oxo-2-[(3R)-3-(1,3-thiazol-2-yl)piperidin-1-yl]ethyl]pyrrolidin-2-one
CID 95761166
2-(cyclohexen-1-yl)-1-[3-(1,3-thiazol-2-yl)piperidin-1-yl]ethanone
CID 86768420
1-[3-(1,3-thiazol-2-yl)piperidin-1-yl]-3-thiophen-2-ylpropan-1-one
CID 127247595
(2-hydroxycyclopentyl)-[3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 110014632
2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(3R)-3-(1,3-thiazol-2-yl)piperidin-1-yl]ethanone
CID 124606468
3-pyridin-3-yl-1-[(3S)-3-(1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one
CID 124553959
3-(1-methylpyrazol-4-yl)-1-[(3S)-3-(1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one
CID 95761150
6-methyl-2-[2-oxo-2-[(3R)-3-(1,3-thiazol-2-yl)piperidin-1-yl]ethyl]pyridazin-3-one
CID 124553977
(3-methylthiophen-2-yl)-[3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 127247570
2-[methyl(pyridin-3-ylmethyl)amino]-1-[(3R)-3-(1,3-thiazol-2-yl)piperidin-1-yl]ethanone
CID 125015209

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[3-(1,3-thiazol-2-yl)piperidin-1-yl]ethanone;dihydrochloride?
The IUPAC name of 2-amino-1-[3-(1,3-thiazol-2-yl)piperidin-1-yl]ethanone;dihydrochloride (CID 119873436) is 2-amino-1-[3-(1,3-thiazol-2-yl)piperidin-1-yl]ethanone;dihydrochloride.
What is the SMILES notation for 2-amino-1-[3-(1,3-thiazol-2-yl)piperidin-1-yl]ethanone;dihydrochloride?
The canonical SMILES for 2-amino-1-[3-(1,3-thiazol-2-yl)piperidin-1-yl]ethanone;dihydrochloride is Cl.Cl.NCC(=O)N1CCCC(c2nccs2)C1.
What is the InChIKey of 2-amino-1-[3-(1,3-thiazol-2-yl)piperidin-1-yl]ethanone;dihydrochloride?
The InChIKey is LTRLNNGSHWNOJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3OS.2ClH/c11-6-9(14)13-4-1-2-8(7-13)10-12-3-5-15-10;;/h3,5,8H,1-2,4,6-7,11H2;2*1H.
What are the key properties of 2-amino-1-[3-(1,3-thiazol-2-yl)piperidin-1-yl]ethanone;dihydrochloride?
2-amino-1-[3-(1,3-thiazol-2-yl)piperidin-1-yl]ethanone;dihydrochloride has a molecular weight of 298.24 g/mol, XLogP of 1.65, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[3-(1,3-thiazol-2-yl)piperidin-1-yl]ethanone;dihydrochloride is sourced from PubChem (CID 119873436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).