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

C11H18N2O2S — CID 62544273

IUPAC2-methoxy-N-[oxolan-3-yl(1,3-thiazol-2-yl)methyl]ethanamine
SMILESCOCCNC(c1nccs1)C1CCOC1
InChIInChI=1S/C11H18N2O2S/c1-14-6-3-12-10(9-2-5-15-8-9)11-13-4-7-16-11/h4,7,9-10,12H,2-3,5-6,8H2,1H3
InChIKeyPYMMKDJITQULOK-UHFFFAOYSA-N
MW242.34 g/mol
LogP1.46
Rot. Bonds6

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

2-methoxy-N-[oxolan-3-yl(1,3-thiazol-2-yl)methyl]ethanamine (PubChem CID 62544273) has the molecular formula C11H18N2O2S and a molecular weight of 242.34 g/mol. Its IUPAC name is 2-methoxy-N-[oxolan-3-yl(1,3-thiazol-2-yl)methyl]ethanamine.

Molecular Properties

Compound Name2-methoxy-N-[oxolan-3-yl(1,3-thiazol-2-yl)methyl]ethanamine
PubChem CID62544273
Molecular FormulaC11H18N2O2S
Molecular Weight242.34 g/mol
Exact Mass242.11
IUPAC Name2-methoxy-N-[oxolan-3-yl(1,3-thiazol-2-yl)methyl]ethanamine
SMILESCOCCNC(c1nccs1)C1CCOC1
InChIInChI=1S/C11H18N2O2S/c1-14-6-3-12-10(9-2-5-15-8-9)11-13-4-7-16-11/h4,7,9-10,12H,2-3,5-6,8H2,1H3
InChIKeyPYMMKDJITQULOK-UHFFFAOYSA-N
XLogP1.46
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.34
LogP ≤ 51.46
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-[oxolan-3-yl(1,3-thiazol-2-yl)methyl]ethanamine?
The IUPAC name of 2-methoxy-N-[oxolan-3-yl(1,3-thiazol-2-yl)methyl]ethanamine (CID 62544273) is 2-methoxy-N-[oxolan-3-yl(1,3-thiazol-2-yl)methyl]ethanamine.
What is the SMILES notation for 2-methoxy-N-[oxolan-3-yl(1,3-thiazol-2-yl)methyl]ethanamine?
The canonical SMILES for 2-methoxy-N-[oxolan-3-yl(1,3-thiazol-2-yl)methyl]ethanamine is COCCNC(c1nccs1)C1CCOC1.
What is the InChIKey of 2-methoxy-N-[oxolan-3-yl(1,3-thiazol-2-yl)methyl]ethanamine?
The InChIKey is PYMMKDJITQULOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2S/c1-14-6-3-12-10(9-2-5-15-8-9)11-13-4-7-16-11/h4,7,9-10,12H,2-3,5-6,8H2,1H3.
What are the key properties of 2-methoxy-N-[oxolan-3-yl(1,3-thiazol-2-yl)methyl]ethanamine?
2-methoxy-N-[oxolan-3-yl(1,3-thiazol-2-yl)methyl]ethanamine has a molecular weight of 242.34 g/mol, XLogP of 1.46, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[oxolan-3-yl(1,3-thiazol-2-yl)methyl]ethanamine is sourced from PubChem (CID 62544273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).