2-methoxy-N-[[3-(1,3-thiazol-4-ylmethyl)oxolan-3-yl]methyl]ethanamine

C12H20N2O2S — CID 62718538

IUPAC2-methoxy-N-[[3-(1,3-thiazol-4-ylmethyl)oxolan-3-yl]methyl]ethanamine
SMILESCOCCNCC1(Cc2cscn2)CCOC1
InChIInChI=1S/C12H20N2O2S/c1-15-5-3-13-8-12(2-4-16-9-12)6-11-7-17-10-14-11/h7,10,13H,2-6,8-9H2,1H3
InChIKeyFXZHJKBAAGTHQL-UHFFFAOYSA-N
MW256.37 g/mol
LogP1.33
Rot. Bonds7

About 2-methoxy-N-[[3-(1,3-thiazol-4-ylmethyl)oxolan-3-yl]methyl]ethanamine

2-methoxy-N-[[3-(1,3-thiazol-4-ylmethyl)oxolan-3-yl]methyl]ethanamine (PubChem CID 62718538) has the molecular formula C12H20N2O2S and a molecular weight of 256.37 g/mol. Its IUPAC name is 2-methoxy-N-[[3-(1,3-thiazol-4-ylmethyl)oxolan-3-yl]methyl]ethanamine.

Molecular Properties

Compound Name2-methoxy-N-[[3-(1,3-thiazol-4-ylmethyl)oxolan-3-yl]methyl]ethanamine
PubChem CID62718538
Molecular FormulaC12H20N2O2S
Molecular Weight256.37 g/mol
Exact Mass256.12
IUPAC Name2-methoxy-N-[[3-(1,3-thiazol-4-ylmethyl)oxolan-3-yl]methyl]ethanamine
SMILESCOCCNCC1(Cc2cscn2)CCOC1
InChIInChI=1S/C12H20N2O2S/c1-15-5-3-13-8-12(2-4-16-9-12)6-11-7-17-10-14-11/h7,10,13H,2-6,8-9H2,1H3
InChIKeyFXZHJKBAAGTHQL-UHFFFAOYSA-N
XLogP1.33
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.37
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[[3-(1,3-thiazol-4-ylmethyl)oxolan-3-yl]methyl]ethanamine?
The IUPAC name of 2-methoxy-N-[[3-(1,3-thiazol-4-ylmethyl)oxolan-3-yl]methyl]ethanamine (CID 62718538) is 2-methoxy-N-[[3-(1,3-thiazol-4-ylmethyl)oxolan-3-yl]methyl]ethanamine.
What is the SMILES notation for 2-methoxy-N-[[3-(1,3-thiazol-4-ylmethyl)oxolan-3-yl]methyl]ethanamine?
The canonical SMILES for 2-methoxy-N-[[3-(1,3-thiazol-4-ylmethyl)oxolan-3-yl]methyl]ethanamine is COCCNCC1(Cc2cscn2)CCOC1.
What is the InChIKey of 2-methoxy-N-[[3-(1,3-thiazol-4-ylmethyl)oxolan-3-yl]methyl]ethanamine?
The InChIKey is FXZHJKBAAGTHQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2S/c1-15-5-3-13-8-12(2-4-16-9-12)6-11-7-17-10-14-11/h7,10,13H,2-6,8-9H2,1H3.
What are the key properties of 2-methoxy-N-[[3-(1,3-thiazol-4-ylmethyl)oxolan-3-yl]methyl]ethanamine?
2-methoxy-N-[[3-(1,3-thiazol-4-ylmethyl)oxolan-3-yl]methyl]ethanamine has a molecular weight of 256.37 g/mol, XLogP of 1.33, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[[3-(1,3-thiazol-4-ylmethyl)oxolan-3-yl]methyl]ethanamine is sourced from PubChem (CID 62718538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).