N-[[2-(3-ethoxy-4-methoxyphenyl)-1,3-thiazol-5-yl]methyl]ethanamine

C15H20N2O2S — CID 82191269

IUPACN-[[2-(3-ethoxy-4-methoxyphenyl)-1,3-thiazol-5-yl]methyl]ethanamine
SMILESCCNCc1cnc(-c2ccc(OC)c(OCC)c2)s1
InChIInChI=1S/C15H20N2O2S/c1-4-16-9-12-10-17-15(20-12)11-6-7-13(18-3)14(8-11)19-5-2/h6-8,10,16H,4-5,9H2,1-3H3
InChIKeyQGHMXYWJVZKNLJ-UHFFFAOYSA-N
MW292.40 g/mol
LogP3.33
Rot. Bonds7

About N-[[2-(3-ethoxy-4-methoxyphenyl)-1,3-thiazol-5-yl]methyl]ethanamine

N-[[2-(3-ethoxy-4-methoxyphenyl)-1,3-thiazol-5-yl]methyl]ethanamine (PubChem CID 82191269) has the molecular formula C15H20N2O2S and a molecular weight of 292.40 g/mol. Its IUPAC name is N-[[2-(3-ethoxy-4-methoxyphenyl)-1,3-thiazol-5-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-(3-ethoxy-4-methoxyphenyl)-1,3-thiazol-5-yl]methyl]ethanamine
PubChem CID82191269
Molecular FormulaC15H20N2O2S
Molecular Weight292.40 g/mol
Exact Mass292.12
IUPAC NameN-[[2-(3-ethoxy-4-methoxyphenyl)-1,3-thiazol-5-yl]methyl]ethanamine
SMILESCCNCc1cnc(-c2ccc(OC)c(OCC)c2)s1
InChIInChI=1S/C15H20N2O2S/c1-4-16-9-12-10-17-15(20-12)11-6-7-13(18-3)14(8-11)19-5-2/h6-8,10,16H,4-5,9H2,1-3H3
InChIKeyQGHMXYWJVZKNLJ-UHFFFAOYSA-N
XLogP3.33
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[5-(ethylaminomethyl)-1,3-thiazol-2-yl]-2-methoxyphenol
CID 61282140
N-[[2-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 65096062
2-methoxy-5-[5-(methylaminomethyl)-1,3-thiazol-2-yl]phenol
CID 61280570
N-[[2-(2,6-dimethyl-4-pyridinyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 107504207
N-[[2-(6-methyl-3-pyridinyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 104823153
N-[[2-(4-propoxyphenyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 62495260
N-[(3-ethoxy-4-methoxyphenyl)methyl]ethanamine
CID 4717500
N-[[2-(4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 61282527
2-[2-(4-ethoxy-3-methylphenyl)-1,3-thiazol-5-yl]ethanol
CID 116852096
N-[[2-[4-(2-methylpropoxy)phenyl]-1,3-thiazol-5-yl]methyl]ethanamine
CID 82191242
2-(4-methoxy-3-propoxyphenyl)-1,3-thiazole-5-carbothioamide
CID 82424454
N-[[2-(1-methyl-2,3-dihydroindol-5-yl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 62094946

Frequently Asked Questions

What is the IUPAC name of N-[[2-(3-ethoxy-4-methoxyphenyl)-1,3-thiazol-5-yl]methyl]ethanamine?
The IUPAC name of N-[[2-(3-ethoxy-4-methoxyphenyl)-1,3-thiazol-5-yl]methyl]ethanamine (CID 82191269) is N-[[2-(3-ethoxy-4-methoxyphenyl)-1,3-thiazol-5-yl]methyl]ethanamine.
What is the SMILES notation for N-[[2-(3-ethoxy-4-methoxyphenyl)-1,3-thiazol-5-yl]methyl]ethanamine?
The canonical SMILES for N-[[2-(3-ethoxy-4-methoxyphenyl)-1,3-thiazol-5-yl]methyl]ethanamine is CCNCc1cnc(-c2ccc(OC)c(OCC)c2)s1.
What is the InChIKey of N-[[2-(3-ethoxy-4-methoxyphenyl)-1,3-thiazol-5-yl]methyl]ethanamine?
The InChIKey is QGHMXYWJVZKNLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2S/c1-4-16-9-12-10-17-15(20-12)11-6-7-13(18-3)14(8-11)19-5-2/h6-8,10,16H,4-5,9H2,1-3H3.
What are the key properties of N-[[2-(3-ethoxy-4-methoxyphenyl)-1,3-thiazol-5-yl]methyl]ethanamine?
N-[[2-(3-ethoxy-4-methoxyphenyl)-1,3-thiazol-5-yl]methyl]ethanamine has a molecular weight of 292.40 g/mol, XLogP of 3.33, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(3-ethoxy-4-methoxyphenyl)-1,3-thiazol-5-yl]methyl]ethanamine is sourced from PubChem (CID 82191269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).