2-amino-1-[4-(5-ethyl-1,3-thiazol-2-yl)piperazin-1-yl]-2-(oxan-4-yl)ethanone;dihydrochloride

C16H28Cl2N4O2S — CID 120800589

IUPAC2-amino-1-[4-(5-ethyl-1,3-thiazol-2-yl)piperazin-1-yl]-2-(oxan-4-yl)ethanone;dihydrochloride
SMILESCCc1cnc(N2CCN(C(=O)C(N)C3CCOCC3)CC2)s1.Cl.Cl
InChIInChI=1S/C16H26N4O2S.2ClH/c1-2-13-11-18-16(23-13)20-7-5-19(6-8-20)15(21)14(17)12-3-9-22-10-4-12;;/h11-12,14H,2-10,17H2,1H3;2*1H
InChIKeyIJUNUIDQXWNTFW-UHFFFAOYSA-N
MW411.40 g/mol
LogP1.95
Rot. Bonds4

About 2-amino-1-[4-(5-ethyl-1,3-thiazol-2-yl)piperazin-1-yl]-2-(oxan-4-yl)ethanone;dihydrochloride

2-amino-1-[4-(5-ethyl-1,3-thiazol-2-yl)piperazin-1-yl]-2-(oxan-4-yl)ethanone;dihydrochloride (PubChem CID 120800589) has the molecular formula C16H28Cl2N4O2S and a molecular weight of 411.40 g/mol. Its IUPAC name is 2-amino-1-[4-(5-ethyl-1,3-thiazol-2-yl)piperazin-1-yl]-2-(oxan-4-yl)ethanone;dihydrochloride.

Molecular Properties

Compound Name2-amino-1-[4-(5-ethyl-1,3-thiazol-2-yl)piperazin-1-yl]-2-(oxan-4-yl)ethanone;dihydrochloride
PubChem CID120800589
Molecular FormulaC16H28Cl2N4O2S
Molecular Weight411.40 g/mol
Exact Mass410.13
IUPAC Name2-amino-1-[4-(5-ethyl-1,3-thiazol-2-yl)piperazin-1-yl]-2-(oxan-4-yl)ethanone;dihydrochloride
SMILESCCc1cnc(N2CCN(C(=O)C(N)C3CCOCC3)CC2)s1.Cl.Cl
InChIInChI=1S/C16H26N4O2S.2ClH/c1-2-13-11-18-16(23-13)20-7-5-19(6-8-20)15(21)14(17)12-3-9-22-10-4-12;;/h11-12,14H,2-10,17H2,1H3;2*1H
InChIKeyIJUNUIDQXWNTFW-UHFFFAOYSA-N
XLogP1.95
TPSA71.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.40
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-amino-1-[4-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-2-(oxan-4-yl)ethanone;dihydrochloride
CID 120799077
2-amino-1-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]-2-(oxan-4-yl)ethanone;dihydrochloride
CID 120797541
(3-aminocyclopentyl)-[4-(5-ethyl-1,3-thiazol-2-yl)piperazin-1-yl]methanone
CID 119886774
2-amino-1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(oxan-4-yl)ethanone
CID 120796792
(1-aminocyclohexyl)-[4-(5-ethyl-1,3-thiazol-2-yl)piperazin-1-yl]methanone;dihydrochloride
CID 119886813
2-amino-1-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-2-(oxan-4-yl)ethanone;dihydrochloride
CID 120797093
2-amino-2-(oxan-4-yl)-1-(4-pyridazin-3-ylpiperazin-1-yl)ethanone
CID 120799696
2-amino-1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-(oxan-4-yl)ethanone
CID 120796728
2-amino-1-[4-(3,5-dimethoxyphenyl)-1,4-diazepan-1-yl]-2-(oxan-4-yl)ethanone;dihydrochloride
CID 120801423
2-amino-1-[4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]-2-(oxan-4-yl)ethanone
CID 120800306
2-(4-aminophenyl)-1-[4-(5-ethyl-1,3-thiazol-2-yl)piperazin-1-yl]ethanone
CID 119886766
[4-(5-ethyl-1,3-thiazol-2-yl)piperazin-1-yl]-[(2R,3S)-2-methylmorpholin-3-yl]methanone
CID 120941808

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[4-(5-ethyl-1,3-thiazol-2-yl)piperazin-1-yl]-2-(oxan-4-yl)ethanone;dihydrochloride?
The IUPAC name of 2-amino-1-[4-(5-ethyl-1,3-thiazol-2-yl)piperazin-1-yl]-2-(oxan-4-yl)ethanone;dihydrochloride (CID 120800589) is 2-amino-1-[4-(5-ethyl-1,3-thiazol-2-yl)piperazin-1-yl]-2-(oxan-4-yl)ethanone;dihydrochloride.
What is the SMILES notation for 2-amino-1-[4-(5-ethyl-1,3-thiazol-2-yl)piperazin-1-yl]-2-(oxan-4-yl)ethanone;dihydrochloride?
The canonical SMILES for 2-amino-1-[4-(5-ethyl-1,3-thiazol-2-yl)piperazin-1-yl]-2-(oxan-4-yl)ethanone;dihydrochloride is CCc1cnc(N2CCN(C(=O)C(N)C3CCOCC3)CC2)s1.Cl.Cl.
What is the InChIKey of 2-amino-1-[4-(5-ethyl-1,3-thiazol-2-yl)piperazin-1-yl]-2-(oxan-4-yl)ethanone;dihydrochloride?
The InChIKey is IJUNUIDQXWNTFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O2S.2ClH/c1-2-13-11-18-16(23-13)20-7-5-19(6-8-20)15(21)14(17)12-3-9-22-10-4-12;;/h11-12,14H,2-10,17H2,1H3;2*1H.
What are the key properties of 2-amino-1-[4-(5-ethyl-1,3-thiazol-2-yl)piperazin-1-yl]-2-(oxan-4-yl)ethanone;dihydrochloride?
2-amino-1-[4-(5-ethyl-1,3-thiazol-2-yl)piperazin-1-yl]-2-(oxan-4-yl)ethanone;dihydrochloride has a molecular weight of 411.40 g/mol, XLogP of 1.95, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[4-(5-ethyl-1,3-thiazol-2-yl)piperazin-1-yl]-2-(oxan-4-yl)ethanone;dihydrochloride is sourced from PubChem (CID 120800589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).