2-methoxy-N-methyl-1-(1,2-thiazol-3-yl)ethanamine

C7H12N2OS — CID 131223120

IUPAC2-methoxy-N-methyl-1-(1,2-thiazol-3-yl)ethanamine
SMILESCNC(COC)c1ccsn1
InChIInChI=1S/C7H12N2OS/c1-8-7(5-10-2)6-3-4-11-9-6/h3-4,7-8H,5H2,1-2H3
InChIKeyTVKASTFVVJQNQC-UHFFFAOYSA-N
MW172.25 g/mol
LogP1.05
Rot. Bonds4

About 2-methoxy-N-methyl-1-(1,2-thiazol-3-yl)ethanamine

2-methoxy-N-methyl-1-(1,2-thiazol-3-yl)ethanamine (PubChem CID 131223120) has the molecular formula C7H12N2OS and a molecular weight of 172.25 g/mol. Its IUPAC name is 2-methoxy-N-methyl-1-(1,2-thiazol-3-yl)ethanamine.

Molecular Properties

Compound Name2-methoxy-N-methyl-1-(1,2-thiazol-3-yl)ethanamine
PubChem CID131223120
Molecular FormulaC7H12N2OS
Molecular Weight172.25 g/mol
Exact Mass172.07
IUPAC Name2-methoxy-N-methyl-1-(1,2-thiazol-3-yl)ethanamine
SMILESCNC(COC)c1ccsn1
InChIInChI=1S/C7H12N2OS/c1-8-7(5-10-2)6-3-4-11-9-6/h3-4,7-8H,5H2,1-2H3
InChIKeyTVKASTFVVJQNQC-UHFFFAOYSA-N
XLogP1.05
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.25
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1,4-dioxan-2-yl)-N-methyl-1-(1,2-thiazol-3-yl)methanamine
CID 130604848
N-methyl-1-(oxan-2-yl)-1-(1,2-thiazol-3-yl)methanamine
CID 130642110
N-methyl-1-(1,2-thiazol-3-yl)ethanamine
CID 130736578
N-methyl-1-(5-methyloxolan-2-yl)-1-(1,2-thiazol-3-yl)methanamine
CID 131096949
N-ethyl-1-(1,2-thiazol-3-yl)ethanamine
CID 131172265
3-Methoxy-1-(1,2-thiazol-3-yl)propan-1-amine
CID 131206607
N-[1-(1,2-thiazol-3-yl)ethyl]propan-1-amine
CID 131206616
N-methyl-1-(1,2-thiazol-3-yl)but-3-en-1-amine
CID 131219684
2-Methyl-1-[1-(1,2-thiazol-3-yl)ethylamino]propan-2-ol
CID 138048390
N,N-dimethyl-4-[[1-(1,2-thiazol-3-yl)ethylamino]methyl]oxan-4-amine
CID 138048393
2,2-Diethyl-3-(1,2-thiazol-3-yl)morpholine
CID 165598330
9-(1,2-Thiazol-3-yl)-5-oxa-2,8-diazaspiro[3.5]nonane
CID 165856693

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-methyl-1-(1,2-thiazol-3-yl)ethanamine?
The IUPAC name of 2-methoxy-N-methyl-1-(1,2-thiazol-3-yl)ethanamine (CID 131223120) is 2-methoxy-N-methyl-1-(1,2-thiazol-3-yl)ethanamine.
What is the SMILES notation for 2-methoxy-N-methyl-1-(1,2-thiazol-3-yl)ethanamine?
The canonical SMILES for 2-methoxy-N-methyl-1-(1,2-thiazol-3-yl)ethanamine is CNC(COC)c1ccsn1.
What is the InChIKey of 2-methoxy-N-methyl-1-(1,2-thiazol-3-yl)ethanamine?
The InChIKey is TVKASTFVVJQNQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2OS/c1-8-7(5-10-2)6-3-4-11-9-6/h3-4,7-8H,5H2,1-2H3.
What are the key properties of 2-methoxy-N-methyl-1-(1,2-thiazol-3-yl)ethanamine?
2-methoxy-N-methyl-1-(1,2-thiazol-3-yl)ethanamine has a molecular weight of 172.25 g/mol, XLogP of 1.05, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-methyl-1-(1,2-thiazol-3-yl)ethanamine is sourced from PubChem (CID 131223120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).