1-(1,4-dioxan-2-yl)-2-(4-methyl-1,3-thiazol-2-yl)ethanamine

C10H16N2O2S — CID 115825359

IUPAC1-(1,4-dioxan-2-yl)-2-(4-methyl-1,3-thiazol-2-yl)ethanamine
SMILESCc1csc(CC(N)C2COCCO2)n1
InChIInChI=1S/C10H16N2O2S/c1-7-6-15-10(12-7)4-8(11)9-5-13-2-3-14-9/h6,8-9H,2-5,11H2,1H3
InChIKeyGXYGVVQXOLKIDL-UHFFFAOYSA-N
MW228.32 g/mol
LogP0.74
Rot. Bonds3

About 1-(1,4-dioxan-2-yl)-2-(4-methyl-1,3-thiazol-2-yl)ethanamine

1-(1,4-dioxan-2-yl)-2-(4-methyl-1,3-thiazol-2-yl)ethanamine (PubChem CID 115825359) has the molecular formula C10H16N2O2S and a molecular weight of 228.32 g/mol. Its IUPAC name is 1-(1,4-dioxan-2-yl)-2-(4-methyl-1,3-thiazol-2-yl)ethanamine.

Molecular Properties

Compound Name1-(1,4-dioxan-2-yl)-2-(4-methyl-1,3-thiazol-2-yl)ethanamine
PubChem CID115825359
Molecular FormulaC10H16N2O2S
Molecular Weight228.32 g/mol
Exact Mass228.09
IUPAC Name1-(1,4-dioxan-2-yl)-2-(4-methyl-1,3-thiazol-2-yl)ethanamine
SMILESCc1csc(CC(N)C2COCCO2)n1
InChIInChI=1S/C10H16N2O2S/c1-7-6-15-10(12-7)4-8(11)9-5-13-2-3-14-9/h6,8-9H,2-5,11H2,1H3
InChIKeyGXYGVVQXOLKIDL-UHFFFAOYSA-N
XLogP0.74
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.32
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-ethylcyclohexyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanamine
CID 55252390
1-(1,4-dioxan-2-yl)-2-(1-methylpyrazol-4-yl)ethanamine
CID 65352255
1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-(4-methyl-1,3-thiazol-2-yl)ethanamine
CID 112681099
3-methyl-1-(4-methyl-1,3-thiazol-2-yl)butan-2-amine
CID 62797218
2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(1,4-oxathian-2-yl)ethanamine
CID 79963922
[1-(4-methyl-1,3-thiazol-2-yl)-3-(oxolan-2-yl)propan-2-yl]hydrazine
CID 105198617
1-(1-adamantyl)-3-(4-methyl-1,3-thiazol-2-yl)propan-2-ol
CID 115824167
1-(1,4-dioxan-2-yl)-2-(3-methoxyphenyl)ethanamine
CID 65352870
1-(1,4-dioxan-2-yl)-3-thiophen-3-ylpropan-1-amine
CID 65351038
[1,4-dioxan-2-yl-(2-methylthiophen-3-yl)methyl]hydrazine
CID 102843367
2-(2,5-difluorophenyl)-1-(1,4-dioxan-2-yl)ethanamine
CID 65350986
N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]oxolan-3-amine
CID 63335162

Frequently Asked Questions

What is the IUPAC name of 1-(1,4-dioxan-2-yl)-2-(4-methyl-1,3-thiazol-2-yl)ethanamine?
The IUPAC name of 1-(1,4-dioxan-2-yl)-2-(4-methyl-1,3-thiazol-2-yl)ethanamine (CID 115825359) is 1-(1,4-dioxan-2-yl)-2-(4-methyl-1,3-thiazol-2-yl)ethanamine.
What is the SMILES notation for 1-(1,4-dioxan-2-yl)-2-(4-methyl-1,3-thiazol-2-yl)ethanamine?
The canonical SMILES for 1-(1,4-dioxan-2-yl)-2-(4-methyl-1,3-thiazol-2-yl)ethanamine is Cc1csc(CC(N)C2COCCO2)n1.
What is the InChIKey of 1-(1,4-dioxan-2-yl)-2-(4-methyl-1,3-thiazol-2-yl)ethanamine?
The InChIKey is GXYGVVQXOLKIDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2S/c1-7-6-15-10(12-7)4-8(11)9-5-13-2-3-14-9/h6,8-9H,2-5,11H2,1H3.
What are the key properties of 1-(1,4-dioxan-2-yl)-2-(4-methyl-1,3-thiazol-2-yl)ethanamine?
1-(1,4-dioxan-2-yl)-2-(4-methyl-1,3-thiazol-2-yl)ethanamine has a molecular weight of 228.32 g/mol, XLogP of 0.74, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,4-dioxan-2-yl)-2-(4-methyl-1,3-thiazol-2-yl)ethanamine is sourced from PubChem (CID 115825359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).