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

C15H26N2O2S — CID 62543789

IUPAC2-methoxy-N-[oxan-4-yl-(4-propan-2-yl-1,3-thiazol-2-yl)methyl]ethanamine
SMILESCOCCNC(c1nc(C(C)C)cs1)C1CCOCC1
InChIInChI=1S/C15H26N2O2S/c1-11(2)13-10-20-15(17-13)14(16-6-9-18-3)12-4-7-19-8-5-12/h10-12,14,16H,4-9H2,1-3H3
InChIKeyVJGVYOSJQBSNFG-UHFFFAOYSA-N
MW298.45 g/mol
LogP2.97
Rot. Bonds7

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

2-methoxy-N-[oxan-4-yl-(4-propan-2-yl-1,3-thiazol-2-yl)methyl]ethanamine (PubChem CID 62543789) has the molecular formula C15H26N2O2S and a molecular weight of 298.45 g/mol. Its IUPAC name is 2-methoxy-N-[oxan-4-yl-(4-propan-2-yl-1,3-thiazol-2-yl)methyl]ethanamine.

Molecular Properties

Compound Name2-methoxy-N-[oxan-4-yl-(4-propan-2-yl-1,3-thiazol-2-yl)methyl]ethanamine
PubChem CID62543789
Molecular FormulaC15H26N2O2S
Molecular Weight298.45 g/mol
Exact Mass298.17
IUPAC Name2-methoxy-N-[oxan-4-yl-(4-propan-2-yl-1,3-thiazol-2-yl)methyl]ethanamine
SMILESCOCCNC(c1nc(C(C)C)cs1)C1CCOCC1
InChIInChI=1S/C15H26N2O2S/c1-11(2)13-10-20-15(17-13)14(16-6-9-18-3)12-4-7-19-8-5-12/h10-12,14,16H,4-9H2,1-3H3
InChIKeyVJGVYOSJQBSNFG-UHFFFAOYSA-N
XLogP2.97
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.45
LogP ≤ 52.97
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-[oxan-4-yl-(4-propan-2-yl-1,3-thiazol-2-yl)methyl]ethanamine?
The IUPAC name of 2-methoxy-N-[oxan-4-yl-(4-propan-2-yl-1,3-thiazol-2-yl)methyl]ethanamine (CID 62543789) is 2-methoxy-N-[oxan-4-yl-(4-propan-2-yl-1,3-thiazol-2-yl)methyl]ethanamine.
What is the SMILES notation for 2-methoxy-N-[oxan-4-yl-(4-propan-2-yl-1,3-thiazol-2-yl)methyl]ethanamine?
The canonical SMILES for 2-methoxy-N-[oxan-4-yl-(4-propan-2-yl-1,3-thiazol-2-yl)methyl]ethanamine is COCCNC(c1nc(C(C)C)cs1)C1CCOCC1.
What is the InChIKey of 2-methoxy-N-[oxan-4-yl-(4-propan-2-yl-1,3-thiazol-2-yl)methyl]ethanamine?
The InChIKey is VJGVYOSJQBSNFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2S/c1-11(2)13-10-20-15(17-13)14(16-6-9-18-3)12-4-7-19-8-5-12/h10-12,14,16H,4-9H2,1-3H3.
What are the key properties of 2-methoxy-N-[oxan-4-yl-(4-propan-2-yl-1,3-thiazol-2-yl)methyl]ethanamine?
2-methoxy-N-[oxan-4-yl-(4-propan-2-yl-1,3-thiazol-2-yl)methyl]ethanamine has a molecular weight of 298.45 g/mol, XLogP of 2.97, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[oxan-4-yl-(4-propan-2-yl-1,3-thiazol-2-yl)methyl]ethanamine is sourced from PubChem (CID 62543789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).