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

C16H22N2O2S — CID 62540873

IUPAC2-methoxy-N-[(4-methoxy-3-methylphenyl)-(4-methyl-1,3-thiazol-2-yl)methyl]ethanamine
SMILESCOCCNC(c1ccc(OC)c(C)c1)c1nc(C)cs1
InChIInChI=1S/C16H22N2O2S/c1-11-9-13(5-6-14(11)20-4)15(17-7-8-19-3)16-18-12(2)10-21-16/h5-6,9-10,15,17H,7-8H2,1-4H3
InChIKeyVYUQRWNOTFKZER-UHFFFAOYSA-N
MW306.43 g/mol
LogP3.09
Rot. Bonds7

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

2-methoxy-N-[(4-methoxy-3-methylphenyl)-(4-methyl-1,3-thiazol-2-yl)methyl]ethanamine (PubChem CID 62540873) has the molecular formula C16H22N2O2S and a molecular weight of 306.43 g/mol. Its IUPAC name is 2-methoxy-N-[(4-methoxy-3-methylphenyl)-(4-methyl-1,3-thiazol-2-yl)methyl]ethanamine.

Molecular Properties

Compound Name2-methoxy-N-[(4-methoxy-3-methylphenyl)-(4-methyl-1,3-thiazol-2-yl)methyl]ethanamine
PubChem CID62540873
Molecular FormulaC16H22N2O2S
Molecular Weight306.43 g/mol
Exact Mass306.14
IUPAC Name2-methoxy-N-[(4-methoxy-3-methylphenyl)-(4-methyl-1,3-thiazol-2-yl)methyl]ethanamine
SMILESCOCCNC(c1ccc(OC)c(C)c1)c1nc(C)cs1
InChIInChI=1S/C16H22N2O2S/c1-11-9-13(5-6-14(11)20-4)15(17-7-8-19-3)16-18-12(2)10-21-16/h5-6,9-10,15,17H,7-8H2,1-4H3
InChIKeyVYUQRWNOTFKZER-UHFFFAOYSA-N
XLogP3.09
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.43
LogP ≤ 53.09
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-methoxy-3-methylphenyl)-(4-methyl-1,3-thiazol-2-yl)methyl]ethanamine?
The IUPAC name of 2-methoxy-N-[(4-methoxy-3-methylphenyl)-(4-methyl-1,3-thiazol-2-yl)methyl]ethanamine (CID 62540873) is 2-methoxy-N-[(4-methoxy-3-methylphenyl)-(4-methyl-1,3-thiazol-2-yl)methyl]ethanamine.
What is the SMILES notation for 2-methoxy-N-[(4-methoxy-3-methylphenyl)-(4-methyl-1,3-thiazol-2-yl)methyl]ethanamine?
The canonical SMILES for 2-methoxy-N-[(4-methoxy-3-methylphenyl)-(4-methyl-1,3-thiazol-2-yl)methyl]ethanamine is COCCNC(c1ccc(OC)c(C)c1)c1nc(C)cs1.
What is the InChIKey of 2-methoxy-N-[(4-methoxy-3-methylphenyl)-(4-methyl-1,3-thiazol-2-yl)methyl]ethanamine?
The InChIKey is VYUQRWNOTFKZER-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2S/c1-11-9-13(5-6-14(11)20-4)15(17-7-8-19-3)16-18-12(2)10-21-16/h5-6,9-10,15,17H,7-8H2,1-4H3.
What are the key properties of 2-methoxy-N-[(4-methoxy-3-methylphenyl)-(4-methyl-1,3-thiazol-2-yl)methyl]ethanamine?
2-methoxy-N-[(4-methoxy-3-methylphenyl)-(4-methyl-1,3-thiazol-2-yl)methyl]ethanamine has a molecular weight of 306.43 g/mol, XLogP of 3.09, 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-methoxy-3-methylphenyl)-(4-methyl-1,3-thiazol-2-yl)methyl]ethanamine is sourced from PubChem (CID 62540873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).