2,2,2-trimethoxy-1-(3-methyl-1,2-thiazol-5-yl)ethanamine

C9H16N2O3S — CID 24971822

IUPAC2,2,2-trimethoxy-1-(3-methyl-1,2-thiazol-5-yl)ethanamine
SMILESCOC(OC)(OC)C(N)c1cc(C)ns1
InChIInChI=1S/C9H16N2O3S/c1-6-5-7(15-11-6)8(10)9(12-2,13-3)14-4/h5,8H,10H2,1-4H3
InChIKeyRQYOIFICNWFJQM-UHFFFAOYSA-N
MW232.30 g/mol
LogP1.04
Rot. Bonds5

About 2,2,2-trimethoxy-1-(3-methyl-1,2-thiazol-5-yl)ethanamine

2,2,2-trimethoxy-1-(3-methyl-1,2-thiazol-5-yl)ethanamine (PubChem CID 24971822) has the molecular formula C9H16N2O3S and a molecular weight of 232.30 g/mol. Its IUPAC name is 2,2,2-trimethoxy-1-(3-methyl-1,2-thiazol-5-yl)ethanamine.

Molecular Properties

Compound Name2,2,2-trimethoxy-1-(3-methyl-1,2-thiazol-5-yl)ethanamine
PubChem CID24971822
Molecular FormulaC9H16N2O3S
Molecular Weight232.30 g/mol
Exact Mass232.09
IUPAC Name2,2,2-trimethoxy-1-(3-methyl-1,2-thiazol-5-yl)ethanamine
SMILESCOC(OC)(OC)C(N)c1cc(C)ns1
InChIInChI=1S/C9H16N2O3S/c1-6-5-7(15-11-6)8(10)9(12-2,13-3)14-4/h5,8H,10H2,1-4H3
InChIKeyRQYOIFICNWFJQM-UHFFFAOYSA-N
XLogP1.04
TPSA66.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.30
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-[3-(Methoxymethyl)-1,2-thiazol-5-yl]propan-1-amine
CID 82405705
(3-Methyl-1,2-thiazol-5-yl)-(oxolan-2-yl)methanamine
CID 126985716
(1-Methoxycyclobutyl)-(3-methyl-1,2-thiazol-5-yl)methanamine
CID 126985750
(5-Methyloxolan-2-yl)-(3-methyl-1,2-thiazol-5-yl)methanamine
CID 130642281
1,4-Dioxan-2-yl-(3-methyl-1,2-thiazol-5-yl)methanamine
CID 130653733
(3-Methyl-1,2-thiazol-5-yl)-(oxan-2-yl)methanamine
CID 130673408
2-Methoxy-1-(3-methyl-1,2-thiazol-5-yl)ethanamine
CID 130752204
1-Methoxy-2-(3-methyl-1,2-thiazol-5-yl)propan-2-amine
CID 131191330

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trimethoxy-1-(3-methyl-1,2-thiazol-5-yl)ethanamine?
The IUPAC name of 2,2,2-trimethoxy-1-(3-methyl-1,2-thiazol-5-yl)ethanamine (CID 24971822) is 2,2,2-trimethoxy-1-(3-methyl-1,2-thiazol-5-yl)ethanamine.
What is the SMILES notation for 2,2,2-trimethoxy-1-(3-methyl-1,2-thiazol-5-yl)ethanamine?
The canonical SMILES for 2,2,2-trimethoxy-1-(3-methyl-1,2-thiazol-5-yl)ethanamine is COC(OC)(OC)C(N)c1cc(C)ns1.
What is the InChIKey of 2,2,2-trimethoxy-1-(3-methyl-1,2-thiazol-5-yl)ethanamine?
The InChIKey is RQYOIFICNWFJQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O3S/c1-6-5-7(15-11-6)8(10)9(12-2,13-3)14-4/h5,8H,10H2,1-4H3.
What are the key properties of 2,2,2-trimethoxy-1-(3-methyl-1,2-thiazol-5-yl)ethanamine?
2,2,2-trimethoxy-1-(3-methyl-1,2-thiazol-5-yl)ethanamine has a molecular weight of 232.30 g/mol, XLogP of 1.04, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trimethoxy-1-(3-methyl-1,2-thiazol-5-yl)ethanamine is sourced from PubChem (CID 24971822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).