2-[2-(methoxymethyl)-1,3-thiazol-4-yl]ethanamine

C7H12N2OS — CID 62929822

IUPAC2-[2-(methoxymethyl)-1,3-thiazol-4-yl]ethanamine
SMILESCOCc1nc(CCN)cs1
InChIInChI=1S/C7H12N2OS/c1-10-4-7-9-6(2-3-8)5-11-7/h5H,2-4,8H2,1H3
InChIKeySTIDTJSTNIVKIR-UHFFFAOYSA-N
MW172.25 g/mol
LogP0.79
Rot. Bonds4

About 2-[2-(methoxymethyl)-1,3-thiazol-4-yl]ethanamine

2-[2-(methoxymethyl)-1,3-thiazol-4-yl]ethanamine (PubChem CID 62929822) has the molecular formula C7H12N2OS and a molecular weight of 172.25 g/mol. Its IUPAC name is 2-[2-(methoxymethyl)-1,3-thiazol-4-yl]ethanamine.

Molecular Properties

Compound Name2-[2-(methoxymethyl)-1,3-thiazol-4-yl]ethanamine
PubChem CID62929822
Molecular FormulaC7H12N2OS
Molecular Weight172.25 g/mol
Exact Mass172.07
IUPAC Name2-[2-(methoxymethyl)-1,3-thiazol-4-yl]ethanamine
SMILESCOCc1nc(CCN)cs1
InChIInChI=1S/C7H12N2OS/c1-10-4-7-9-6(2-3-8)5-11-7/h5H,2-4,8H2,1H3
InChIKeySTIDTJSTNIVKIR-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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Frequently Asked Questions

What is the IUPAC name of 2-[2-(methoxymethyl)-1,3-thiazol-4-yl]ethanamine?
The IUPAC name of 2-[2-(methoxymethyl)-1,3-thiazol-4-yl]ethanamine (CID 62929822) is 2-[2-(methoxymethyl)-1,3-thiazol-4-yl]ethanamine.
What is the SMILES notation for 2-[2-(methoxymethyl)-1,3-thiazol-4-yl]ethanamine?
The canonical SMILES for 2-[2-(methoxymethyl)-1,3-thiazol-4-yl]ethanamine is COCc1nc(CCN)cs1.
What is the InChIKey of 2-[2-(methoxymethyl)-1,3-thiazol-4-yl]ethanamine?
The InChIKey is STIDTJSTNIVKIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2OS/c1-10-4-7-9-6(2-3-8)5-11-7/h5H,2-4,8H2,1H3.
What are the key properties of 2-[2-(methoxymethyl)-1,3-thiazol-4-yl]ethanamine?
2-[2-(methoxymethyl)-1,3-thiazol-4-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-[2-(methoxymethyl)-1,3-thiazol-4-yl]ethanamine is sourced from PubChem (CID 62929822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).