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

C13H22N2O2S — CID 55241843

IUPAC2-methoxy-N-[(4-methyl-1,3-thiazol-2-yl)-(oxan-3-yl)methyl]ethanamine
SMILESCOCCNC(c1nc(C)cs1)C1CCCOC1
InChIInChI=1S/C13H22N2O2S/c1-10-9-18-13(15-10)12(14-5-7-16-2)11-4-3-6-17-8-11/h9,11-12,14H,3-8H2,1-2H3
InChIKeyAKVIVWIVBBONOB-UHFFFAOYSA-N
MW270.40 g/mol
LogP2.16
Rot. Bonds6

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

2-methoxy-N-[(4-methyl-1,3-thiazol-2-yl)-(oxan-3-yl)methyl]ethanamine (PubChem CID 55241843) has the molecular formula C13H22N2O2S and a molecular weight of 270.40 g/mol. Its IUPAC name is 2-methoxy-N-[(4-methyl-1,3-thiazol-2-yl)-(oxan-3-yl)methyl]ethanamine.

Molecular Properties

Compound Name2-methoxy-N-[(4-methyl-1,3-thiazol-2-yl)-(oxan-3-yl)methyl]ethanamine
PubChem CID55241843
Molecular FormulaC13H22N2O2S
Molecular Weight270.40 g/mol
Exact Mass270.14
IUPAC Name2-methoxy-N-[(4-methyl-1,3-thiazol-2-yl)-(oxan-3-yl)methyl]ethanamine
SMILESCOCCNC(c1nc(C)cs1)C1CCCOC1
InChIInChI=1S/C13H22N2O2S/c1-10-9-18-13(15-10)12(14-5-7-16-2)11-4-3-6-17-8-11/h9,11-12,14H,3-8H2,1-2H3
InChIKeyAKVIVWIVBBONOB-UHFFFAOYSA-N
XLogP2.16
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.40
LogP ≤ 52.16
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-[(4-methyl-1,3-thiazol-2-yl)-(oxan-3-yl)methyl]ethanamine?
The IUPAC name of 2-methoxy-N-[(4-methyl-1,3-thiazol-2-yl)-(oxan-3-yl)methyl]ethanamine (CID 55241843) is 2-methoxy-N-[(4-methyl-1,3-thiazol-2-yl)-(oxan-3-yl)methyl]ethanamine.
What is the SMILES notation for 2-methoxy-N-[(4-methyl-1,3-thiazol-2-yl)-(oxan-3-yl)methyl]ethanamine?
The canonical SMILES for 2-methoxy-N-[(4-methyl-1,3-thiazol-2-yl)-(oxan-3-yl)methyl]ethanamine is COCCNC(c1nc(C)cs1)C1CCCOC1.
What is the InChIKey of 2-methoxy-N-[(4-methyl-1,3-thiazol-2-yl)-(oxan-3-yl)methyl]ethanamine?
The InChIKey is AKVIVWIVBBONOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2S/c1-10-9-18-13(15-10)12(14-5-7-16-2)11-4-3-6-17-8-11/h9,11-12,14H,3-8H2,1-2H3.
What are the key properties of 2-methoxy-N-[(4-methyl-1,3-thiazol-2-yl)-(oxan-3-yl)methyl]ethanamine?
2-methoxy-N-[(4-methyl-1,3-thiazol-2-yl)-(oxan-3-yl)methyl]ethanamine has a molecular weight of 270.40 g/mol, XLogP of 2.16, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[(4-methyl-1,3-thiazol-2-yl)-(oxan-3-yl)methyl]ethanamine is sourced from PubChem (CID 55241843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).