N-[(4-ethoxyphenyl)-(4-methyl-1,3-thiazol-2-yl)methyl]-2-methoxyethanamine

C16H22N2O2S — CID 62542285

IUPACN-[(4-ethoxyphenyl)-(4-methyl-1,3-thiazol-2-yl)methyl]-2-methoxyethanamine
SMILESCCOc1ccc(C(NCCOC)c2nc(C)cs2)cc1
InChIInChI=1S/C16H22N2O2S/c1-4-20-14-7-5-13(6-8-14)15(17-9-10-19-3)16-18-12(2)11-21-16/h5-8,11,15,17H,4,9-10H2,1-3H3
InChIKeyCHMOUHXGTWAPHR-UHFFFAOYSA-N
MW306.43 g/mol
LogP3.18
Rot. Bonds8

About N-[(4-ethoxyphenyl)-(4-methyl-1,3-thiazol-2-yl)methyl]-2-methoxyethanamine

N-[(4-ethoxyphenyl)-(4-methyl-1,3-thiazol-2-yl)methyl]-2-methoxyethanamine (PubChem CID 62542285) has the molecular formula C16H22N2O2S and a molecular weight of 306.43 g/mol. Its IUPAC name is N-[(4-ethoxyphenyl)-(4-methyl-1,3-thiazol-2-yl)methyl]-2-methoxyethanamine.

Molecular Properties

Compound NameN-[(4-ethoxyphenyl)-(4-methyl-1,3-thiazol-2-yl)methyl]-2-methoxyethanamine
PubChem CID62542285
Molecular FormulaC16H22N2O2S
Molecular Weight306.43 g/mol
Exact Mass306.14
IUPAC NameN-[(4-ethoxyphenyl)-(4-methyl-1,3-thiazol-2-yl)methyl]-2-methoxyethanamine
SMILESCCOc1ccc(C(NCCOC)c2nc(C)cs2)cc1
InChIInChI=1S/C16H22N2O2S/c1-4-20-14-7-5-13(6-8-14)15(17-9-10-19-3)16-18-12(2)11-21-16/h5-8,11,15,17H,4,9-10H2,1-3H3
InChIKeyCHMOUHXGTWAPHR-UHFFFAOYSA-N
XLogP3.18
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.43
LogP ≤ 53.18
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 N-[(4-ethoxyphenyl)-(4-methyl-1,3-thiazol-2-yl)methyl]-2-methoxyethanamine?
The IUPAC name of N-[(4-ethoxyphenyl)-(4-methyl-1,3-thiazol-2-yl)methyl]-2-methoxyethanamine (CID 62542285) is N-[(4-ethoxyphenyl)-(4-methyl-1,3-thiazol-2-yl)methyl]-2-methoxyethanamine.
What is the SMILES notation for N-[(4-ethoxyphenyl)-(4-methyl-1,3-thiazol-2-yl)methyl]-2-methoxyethanamine?
The canonical SMILES for N-[(4-ethoxyphenyl)-(4-methyl-1,3-thiazol-2-yl)methyl]-2-methoxyethanamine is CCOc1ccc(C(NCCOC)c2nc(C)cs2)cc1.
What is the InChIKey of N-[(4-ethoxyphenyl)-(4-methyl-1,3-thiazol-2-yl)methyl]-2-methoxyethanamine?
The InChIKey is CHMOUHXGTWAPHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2S/c1-4-20-14-7-5-13(6-8-14)15(17-9-10-19-3)16-18-12(2)11-21-16/h5-8,11,15,17H,4,9-10H2,1-3H3.
What are the key properties of N-[(4-ethoxyphenyl)-(4-methyl-1,3-thiazol-2-yl)methyl]-2-methoxyethanamine?
N-[(4-ethoxyphenyl)-(4-methyl-1,3-thiazol-2-yl)methyl]-2-methoxyethanamine has a molecular weight of 306.43 g/mol, XLogP of 3.18, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethoxyphenyl)-(4-methyl-1,3-thiazol-2-yl)methyl]-2-methoxyethanamine is sourced from PubChem (CID 62542285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).