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

C7H12N2OS — CID 130752204

IUPAC2-methoxy-1-(3-methyl-1,2-thiazol-5-yl)ethanamine
SMILESCOCC(N)c1cc(C)ns1
InChIInChI=1S/C7H12N2OS/c1-5-3-7(11-9-5)6(8)4-10-2/h3,6H,4,8H2,1-2H3
InChIKeyBKMQMTDVBMTFJC-UHFFFAOYSA-N
MW172.25 g/mol
LogP1.10
Rot. Bonds3

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

2-methoxy-1-(3-methyl-1,2-thiazol-5-yl)ethanamine (PubChem CID 130752204) has the molecular formula C7H12N2OS and a molecular weight of 172.25 g/mol. Its IUPAC name is 2-methoxy-1-(3-methyl-1,2-thiazol-5-yl)ethanamine.

Molecular Properties

Compound Name2-methoxy-1-(3-methyl-1,2-thiazol-5-yl)ethanamine
PubChem CID130752204
Molecular FormulaC7H12N2OS
Molecular Weight172.25 g/mol
Exact Mass172.07
IUPAC Name2-methoxy-1-(3-methyl-1,2-thiazol-5-yl)ethanamine
SMILESCOCC(N)c1cc(C)ns1
InChIInChI=1S/C7H12N2OS/c1-5-3-7(11-9-5)6(8)4-10-2/h3,6H,4,8H2,1-2H3
InChIKeyBKMQMTDVBMTFJC-UHFFFAOYSA-N
XLogP1.10
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.25
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,2,2-Trimethoxy-1-(3-methyl-5-isothiazolyl)ethylamine
CID 24971822
2-[3-(Methoxymethyl)-1,2-thiazol-5-yl]ethanamine
CID 82372977
1-[3-(Methoxymethyl)-1,2-thiazol-5-yl]propan-1-amine
CID 82405705
1-(3-Methyl-1,2-thiazol-5-yl)ethanamine
CID 82417947
[3-(Methoxymethyl)-1,2-thiazol-5-yl]methanamine
CID 96589861
(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-Methyloxolan-2-yl)-(3-methyl-1,2-thiazol-5-yl)methanamine
CID 130662906
3-(3-Methyl-1,2-thiazol-5-yl)oxan-3-amine
CID 130664346
(3-Methyl-1,2-thiazol-5-yl)-(oxan-2-yl)methanamine
CID 130673408

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-1-(3-methyl-1,2-thiazol-5-yl)ethanamine?
The IUPAC name of 2-methoxy-1-(3-methyl-1,2-thiazol-5-yl)ethanamine (CID 130752204) is 2-methoxy-1-(3-methyl-1,2-thiazol-5-yl)ethanamine.
What is the SMILES notation for 2-methoxy-1-(3-methyl-1,2-thiazol-5-yl)ethanamine?
The canonical SMILES for 2-methoxy-1-(3-methyl-1,2-thiazol-5-yl)ethanamine is COCC(N)c1cc(C)ns1.
What is the InChIKey of 2-methoxy-1-(3-methyl-1,2-thiazol-5-yl)ethanamine?
The InChIKey is BKMQMTDVBMTFJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2OS/c1-5-3-7(11-9-5)6(8)4-10-2/h3,6H,4,8H2,1-2H3.
What are the key properties of 2-methoxy-1-(3-methyl-1,2-thiazol-5-yl)ethanamine?
2-methoxy-1-(3-methyl-1,2-thiazol-5-yl)ethanamine has a molecular weight of 172.25 g/mol, XLogP of 1.10, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-1-(3-methyl-1,2-thiazol-5-yl)ethanamine is sourced from PubChem (CID 130752204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).