4-ethoxy-3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxymethyl]aniline

C15H20N2O2S — CID 43260074

IUPAC4-ethoxy-3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxymethyl]aniline
SMILESCCOc1ccc(N)cc1COCCc1scnc1C
InChIInChI=1S/C15H20N2O2S/c1-3-19-14-5-4-13(16)8-12(14)9-18-7-6-15-11(2)17-10-20-15/h4-5,8,10H,3,6-7,9,16H2,1-2H3
InChIKeyZEWVILJZAISIKO-UHFFFAOYSA-N
MW292.40 g/mol
LogP3.19
Rot. Bonds7

About 4-ethoxy-3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxymethyl]aniline

4-ethoxy-3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxymethyl]aniline (PubChem CID 43260074) has the molecular formula C15H20N2O2S and a molecular weight of 292.40 g/mol. Its IUPAC name is 4-ethoxy-3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxymethyl]aniline.

Molecular Properties

Compound Name4-ethoxy-3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxymethyl]aniline
PubChem CID43260074
Molecular FormulaC15H20N2O2S
Molecular Weight292.40 g/mol
Exact Mass292.12
IUPAC Name4-ethoxy-3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxymethyl]aniline
SMILESCCOc1ccc(N)cc1COCCc1scnc1C
InChIInChI=1S/C15H20N2O2S/c1-3-19-14-5-4-13(16)8-12(14)9-18-7-6-15-11(2)17-10-20-15/h4-5,8,10H,3,6-7,9,16H2,1-2H3
InChIKeyZEWVILJZAISIKO-UHFFFAOYSA-N
XLogP3.19
TPSA57.37 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 ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-bromo-4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxymethyl]aniline
CID 60790887
4-ethoxy-3-(propoxymethyl)aniline
CID 43260240
4-ethoxy-3-(2-pyridin-2-ylethoxymethyl)aniline
CID 43260203
4-ethoxy-3-[2-(2-methoxyethoxy)ethoxymethyl]aniline
CID 104560280
4-ethoxy-3-(3-pyridin-4-ylpropoxymethyl)aniline
CID 43260207
[3-fluoro-4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxymethyl]phenyl]methanamine
CID 43530969
2-(4-methyl-1,3-thiazol-5-yl)ethyl 4-ethoxy-3-methylbenzoate
CID 86939183
N-(5-amino-2-methylphenyl)-2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]acetamide
CID 29036846
2-[3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]propoxy]aniline
CID 43174424
[4-methoxy-2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxymethyl]phenyl]boronic acid
CID 65327496
N-(5-amino-2-chlorophenyl)-2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]acetamide
CID 43376685
5-[2-[(6-chloro-2-pyridinyl)methoxy]ethyl]-4-methyl-1,3-thiazole
CID 79240432

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxymethyl]aniline?
The IUPAC name of 4-ethoxy-3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxymethyl]aniline (CID 43260074) is 4-ethoxy-3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxymethyl]aniline.
What is the SMILES notation for 4-ethoxy-3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxymethyl]aniline?
The canonical SMILES for 4-ethoxy-3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxymethyl]aniline is CCOc1ccc(N)cc1COCCc1scnc1C.
What is the InChIKey of 4-ethoxy-3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxymethyl]aniline?
The InChIKey is ZEWVILJZAISIKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2S/c1-3-19-14-5-4-13(16)8-12(14)9-18-7-6-15-11(2)17-10-20-15/h4-5,8,10H,3,6-7,9,16H2,1-2H3.
What are the key properties of 4-ethoxy-3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxymethyl]aniline?
4-ethoxy-3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxymethyl]aniline has a molecular weight of 292.40 g/mol, XLogP of 3.19, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxymethyl]aniline is sourced from PubChem (CID 43260074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).