2-[3-(methoxymethyl)-1,2-thiazol-5-yl]ethanamine

C7H12N2OS — CID 82372977

IUPAC2-[3-(methoxymethyl)-1,2-thiazol-5-yl]ethanamine
SMILESCOCc1cc(CCN)sn1
InChIInChI=1S/C7H12N2OS/c1-10-5-6-4-7(2-3-8)11-9-6/h4H,2-3,5,8H2,1H3
InChIKeyUKIWGTKMLMEMRH-UHFFFAOYSA-N
MW172.25 g/mol
LogP0.79
Rot. Bonds4

About 2-[3-(methoxymethyl)-1,2-thiazol-5-yl]ethanamine

2-[3-(methoxymethyl)-1,2-thiazol-5-yl]ethanamine (PubChem CID 82372977) has the molecular formula C7H12N2OS and a molecular weight of 172.25 g/mol. Its IUPAC name is 2-[3-(methoxymethyl)-1,2-thiazol-5-yl]ethanamine.

Molecular Properties

Compound Name2-[3-(methoxymethyl)-1,2-thiazol-5-yl]ethanamine
PubChem CID82372977
Molecular FormulaC7H12N2OS
Molecular Weight172.25 g/mol
Exact Mass172.07
IUPAC Name2-[3-(methoxymethyl)-1,2-thiazol-5-yl]ethanamine
SMILESCOCc1cc(CCN)sn1
InChIInChI=1S/C7H12N2OS/c1-10-5-6-4-7(2-3-8)11-9-6/h4H,2-3,5,8H2,1H3
InChIKeyUKIWGTKMLMEMRH-UHFFFAOYSA-N
XLogP0.79
TPSA48.14 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 ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(Methoxymethyl)-5-propan-2-yl-1,2-thiazole
CID 168201185
1-[3-(Methoxymethyl)-1,2-thiazol-5-yl]propan-1-amine
CID 82405705
[3-(Methoxymethyl)-1,2-thiazol-5-yl]methanamine
CID 96589861
2-Amino-1-(3-methyl-1,2-thiazol-5-yl)propan-1-ol
CID 112489533
2-Amino-1-(3-methyl-1,2-thiazol-5-yl)ethanol
CID 130690765
2-Methoxy-1-(3-methyl-1,2-thiazol-5-yl)ethanamine
CID 130752204
2-Ethoxy-2-(3-methyl-1,2-thiazol-5-yl)ethan-1-amine
CID 165848493
2-Methoxy-2-(3-methyl-1,2-thiazol-5-yl)ethan-1-amine
CID 165962130

Frequently Asked Questions

What is the IUPAC name of 2-[3-(methoxymethyl)-1,2-thiazol-5-yl]ethanamine?
The IUPAC name of 2-[3-(methoxymethyl)-1,2-thiazol-5-yl]ethanamine (CID 82372977) is 2-[3-(methoxymethyl)-1,2-thiazol-5-yl]ethanamine.
What is the SMILES notation for 2-[3-(methoxymethyl)-1,2-thiazol-5-yl]ethanamine?
The canonical SMILES for 2-[3-(methoxymethyl)-1,2-thiazol-5-yl]ethanamine is COCc1cc(CCN)sn1.
What is the InChIKey of 2-[3-(methoxymethyl)-1,2-thiazol-5-yl]ethanamine?
The InChIKey is UKIWGTKMLMEMRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2OS/c1-10-5-6-4-7(2-3-8)11-9-6/h4H,2-3,5,8H2,1H3.
What are the key properties of 2-[3-(methoxymethyl)-1,2-thiazol-5-yl]ethanamine?
2-[3-(methoxymethyl)-1,2-thiazol-5-yl]ethanamine has a molecular weight of 172.25 g/mol, XLogP of 0.79, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(methoxymethyl)-1,2-thiazol-5-yl]ethanamine is sourced from PubChem (CID 82372977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).