3-ethoxy-4-methoxy-N-[1-(1,3-thiazol-5-yl)ethyl]aniline

C14H18N2O2S — CID 115917806

IUPAC3-ethoxy-4-methoxy-N-[1-(1,3-thiazol-5-yl)ethyl]aniline
SMILESCCOc1cc(NC(C)c2cncs2)ccc1OC
InChIInChI=1S/C14H18N2O2S/c1-4-18-13-7-11(5-6-12(13)17-3)16-10(2)14-8-15-9-19-14/h5-10,16H,4H2,1-3H3
InChIKeyCFUZWVPHDFUZFZ-UHFFFAOYSA-N
MW278.38 g/mol
LogP3.72
Rot. Bonds6

About 3-ethoxy-4-methoxy-N-[1-(1,3-thiazol-5-yl)ethyl]aniline

3-ethoxy-4-methoxy-N-[1-(1,3-thiazol-5-yl)ethyl]aniline (PubChem CID 115917806) has the molecular formula C14H18N2O2S and a molecular weight of 278.38 g/mol. Its IUPAC name is 3-ethoxy-4-methoxy-N-[1-(1,3-thiazol-5-yl)ethyl]aniline.

Molecular Properties

Compound Name3-ethoxy-4-methoxy-N-[1-(1,3-thiazol-5-yl)ethyl]aniline
PubChem CID115917806
Molecular FormulaC14H18N2O2S
Molecular Weight278.38 g/mol
Exact Mass278.11
IUPAC Name3-ethoxy-4-methoxy-N-[1-(1,3-thiazol-5-yl)ethyl]aniline
SMILESCCOc1cc(NC(C)c2cncs2)ccc1OC
InChIInChI=1S/C14H18N2O2S/c1-4-18-13-7-11(5-6-12(13)17-3)16-10(2)14-8-15-9-19-14/h5-10,16H,4H2,1-3H3
InChIKeyCFUZWVPHDFUZFZ-UHFFFAOYSA-N
XLogP3.72
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

3-ethoxy-4-methoxy-N-(1-pyridin-2-ylethyl)aniline
CID 43729895
4-ethoxy-3-methoxy-N-(1-pyridin-4-ylethyl)aniline
CID 43717339
4-propoxy-N-[1-(1,3-thiazol-5-yl)ethyl]aniline
CID 115922548
N-[1-(5-ethylthiophen-2-yl)ethyl]-3,4-dimethoxyaniline
CID 61334130
4-ethoxy-N-[1-(5-fluoro-3-pyridinyl)ethyl]-3-methoxyaniline
CID 103935795
3-bromo-N-[1-(1,3-thiazol-5-yl)ethyl]-4-(trifluoromethoxy)aniline
CID 107335996
3-iodo-4-methyl-N-[1-(1,3-thiazol-5-yl)ethyl]aniline
CID 115917182
3-(3-ethoxy-4-methoxyanilino)-2-methylbutan-2-ol
CID 65337928
4-ethoxy-3-methoxy-N-(1-pyridin-2-ylethyl)aniline
CID 43717313
2-chloro-4-[1-(1,3-thiazol-5-yl)ethylamino]phenol
CID 107678452
3-ethoxy-4-methoxy-N-(1-methylsulfonylpropan-2-yl)aniline
CID 64629532
3-[2-(dimethylamino)ethoxy]-N-[1-(1,3-thiazol-5-yl)ethyl]aniline
CID 115928826

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-4-methoxy-N-[1-(1,3-thiazol-5-yl)ethyl]aniline?
The IUPAC name of 3-ethoxy-4-methoxy-N-[1-(1,3-thiazol-5-yl)ethyl]aniline (CID 115917806) is 3-ethoxy-4-methoxy-N-[1-(1,3-thiazol-5-yl)ethyl]aniline.
What is the SMILES notation for 3-ethoxy-4-methoxy-N-[1-(1,3-thiazol-5-yl)ethyl]aniline?
The canonical SMILES for 3-ethoxy-4-methoxy-N-[1-(1,3-thiazol-5-yl)ethyl]aniline is CCOc1cc(NC(C)c2cncs2)ccc1OC.
What is the InChIKey of 3-ethoxy-4-methoxy-N-[1-(1,3-thiazol-5-yl)ethyl]aniline?
The InChIKey is CFUZWVPHDFUZFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2S/c1-4-18-13-7-11(5-6-12(13)17-3)16-10(2)14-8-15-9-19-14/h5-10,16H,4H2,1-3H3.
What are the key properties of 3-ethoxy-4-methoxy-N-[1-(1,3-thiazol-5-yl)ethyl]aniline?
3-ethoxy-4-methoxy-N-[1-(1,3-thiazol-5-yl)ethyl]aniline has a molecular weight of 278.38 g/mol, XLogP of 3.72, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-4-methoxy-N-[1-(1,3-thiazol-5-yl)ethyl]aniline is sourced from PubChem (CID 115917806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).