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

C13H22N2O2S — CID 55131989

IUPAC2-methoxy-N-[[4-(1,3-thiazol-4-ylmethyl)oxan-4-yl]methyl]ethanamine
SMILESCOCCNCC1(Cc2cscn2)CCOCC1
InChIInChI=1S/C13H22N2O2S/c1-16-7-4-14-10-13(2-5-17-6-3-13)8-12-9-18-11-15-12/h9,11,14H,2-8,10H2,1H3
InChIKeyAGSUPWXWJBDBDV-UHFFFAOYSA-N
MW270.40 g/mol
LogP1.72
Rot. Bonds7

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

2-methoxy-N-[[4-(1,3-thiazol-4-ylmethyl)oxan-4-yl]methyl]ethanamine (PubChem CID 55131989) has the molecular formula C13H22N2O2S and a molecular weight of 270.40 g/mol. Its IUPAC name is 2-methoxy-N-[[4-(1,3-thiazol-4-ylmethyl)oxan-4-yl]methyl]ethanamine.

Molecular Properties

Compound Name2-methoxy-N-[[4-(1,3-thiazol-4-ylmethyl)oxan-4-yl]methyl]ethanamine
PubChem CID55131989
Molecular FormulaC13H22N2O2S
Molecular Weight270.40 g/mol
Exact Mass270.14
IUPAC Name2-methoxy-N-[[4-(1,3-thiazol-4-ylmethyl)oxan-4-yl]methyl]ethanamine
SMILESCOCCNCC1(Cc2cscn2)CCOCC1
InChIInChI=1S/C13H22N2O2S/c1-16-7-4-14-10-13(2-5-17-6-3-13)8-12-9-18-11-15-12/h9,11,14H,2-8,10H2,1H3
InChIKeyAGSUPWXWJBDBDV-UHFFFAOYSA-N
XLogP1.72
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.40
LogP ≤ 51.72
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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Related Compounds

3-[3-(4-Tert-butyl-1,3-thiazol-2-yl)-2-fluoro-2-methylpropyl]morpholine
CID 116011191
3-[2-Fluoro-2-methyl-3-(2-methyl-1,3-thiazol-4-yl)propyl]morpholine
CID 116011275
Ethyl 3-(1,3-thiazol-4-ylmethyl)piperidine-3-carboxylate
CID 86184595
1-Pent-3-ynoxy-3-[4-(1,3-thiazol-4-yl)butoxy]propan-2-amine
CID 169964380
2-ethyl-N-(2-methoxyethyl)-2-(1,3-thiazol-4-ylmethyl)butan-1-amine
CID 55107041
2-ethyl-N-(2-methoxyethyl)-2-(1,3-thiazol-4-ylmethyl)hexan-1-amine
CID 55107183
N-(2-methoxyethyl)-4-methyl-2-(1,3-thiazol-4-ylmethyl)pentan-1-amine
CID 55111391
N-[[4-(1,3-thiazol-4-ylmethyl)oxan-4-yl]methyl]propan-2-amine
CID 55130252
N-[[3-(1,3-thiazol-4-ylmethyl)oxan-3-yl]methyl]propan-1-amine
CID 55150130
1-(4-tert-butyl-1,3-thiazol-2-yl)-N-methyl-1-(oxan-3-yl)methanamine
CID 55241460
2-methoxy-N-[(4-methyl-1,3-thiazol-2-yl)-(oxan-3-yl)methyl]ethanamine
CID 55241843
2-methoxy-N-[oxan-4-yl-(4-propan-2-yl-1,3-thiazol-2-yl)methyl]ethanamine
CID 62543789

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[[4-(1,3-thiazol-4-ylmethyl)oxan-4-yl]methyl]ethanamine?
The IUPAC name of 2-methoxy-N-[[4-(1,3-thiazol-4-ylmethyl)oxan-4-yl]methyl]ethanamine (CID 55131989) is 2-methoxy-N-[[4-(1,3-thiazol-4-ylmethyl)oxan-4-yl]methyl]ethanamine.
What is the SMILES notation for 2-methoxy-N-[[4-(1,3-thiazol-4-ylmethyl)oxan-4-yl]methyl]ethanamine?
The canonical SMILES for 2-methoxy-N-[[4-(1,3-thiazol-4-ylmethyl)oxan-4-yl]methyl]ethanamine is COCCNCC1(Cc2cscn2)CCOCC1.
What is the InChIKey of 2-methoxy-N-[[4-(1,3-thiazol-4-ylmethyl)oxan-4-yl]methyl]ethanamine?
The InChIKey is AGSUPWXWJBDBDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2S/c1-16-7-4-14-10-13(2-5-17-6-3-13)8-12-9-18-11-15-12/h9,11,14H,2-8,10H2,1H3.
What are the key properties of 2-methoxy-N-[[4-(1,3-thiazol-4-ylmethyl)oxan-4-yl]methyl]ethanamine?
2-methoxy-N-[[4-(1,3-thiazol-4-ylmethyl)oxan-4-yl]methyl]ethanamine has a molecular weight of 270.40 g/mol, XLogP of 1.72, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[[4-(1,3-thiazol-4-ylmethyl)oxan-4-yl]methyl]ethanamine is sourced from PubChem (CID 55131989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).