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

C10H16N2O2S — CID 65351420

IUPACN-[[2-(1,4-dioxan-2-yl)-1,3-thiazol-4-yl]methyl]ethanamine
SMILESCCNCc1csc(C2COCCO2)n1
InChIInChI=1S/C10H16N2O2S/c1-2-11-5-8-7-15-10(12-8)9-6-13-3-4-14-9/h7,9,11H,2-6H2,1H3
InChIKeyGQEVJCDPEAMREX-UHFFFAOYSA-N
MW228.32 g/mol
LogP1.34
Rot. Bonds4

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

N-[[2-(1,4-dioxan-2-yl)-1,3-thiazol-4-yl]methyl]ethanamine (PubChem CID 65351420) has the molecular formula C10H16N2O2S and a molecular weight of 228.32 g/mol. Its IUPAC name is N-[[2-(1,4-dioxan-2-yl)-1,3-thiazol-4-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-(1,4-dioxan-2-yl)-1,3-thiazol-4-yl]methyl]ethanamine
PubChem CID65351420
Molecular FormulaC10H16N2O2S
Molecular Weight228.32 g/mol
Exact Mass228.09
IUPAC NameN-[[2-(1,4-dioxan-2-yl)-1,3-thiazol-4-yl]methyl]ethanamine
SMILESCCNCc1csc(C2COCCO2)n1
InChIInChI=1S/C10H16N2O2S/c1-2-11-5-8-7-15-10(12-8)9-6-13-3-4-14-9/h7,9,11H,2-6H2,1H3
InChIKeyGQEVJCDPEAMREX-UHFFFAOYSA-N
XLogP1.34
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.32
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(1,4-dioxan-2-yl)-1,3-thiazol-4-yl]methyl]ethanamine?
The IUPAC name of N-[[2-(1,4-dioxan-2-yl)-1,3-thiazol-4-yl]methyl]ethanamine (CID 65351420) is N-[[2-(1,4-dioxan-2-yl)-1,3-thiazol-4-yl]methyl]ethanamine.
What is the SMILES notation for N-[[2-(1,4-dioxan-2-yl)-1,3-thiazol-4-yl]methyl]ethanamine?
The canonical SMILES for N-[[2-(1,4-dioxan-2-yl)-1,3-thiazol-4-yl]methyl]ethanamine is CCNCc1csc(C2COCCO2)n1.
What is the InChIKey of N-[[2-(1,4-dioxan-2-yl)-1,3-thiazol-4-yl]methyl]ethanamine?
The InChIKey is GQEVJCDPEAMREX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2S/c1-2-11-5-8-7-15-10(12-8)9-6-13-3-4-14-9/h7,9,11H,2-6H2,1H3.
What are the key properties of N-[[2-(1,4-dioxan-2-yl)-1,3-thiazol-4-yl]methyl]ethanamine?
N-[[2-(1,4-dioxan-2-yl)-1,3-thiazol-4-yl]methyl]ethanamine has a molecular weight of 228.32 g/mol, XLogP of 1.34, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(1,4-dioxan-2-yl)-1,3-thiazol-4-yl]methyl]ethanamine is sourced from PubChem (CID 65351420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).