4-[(2-ethyl-1,3-thiazol-4-yl)methoxy]-N-methylaniline

C13H16N2OS — CID 55136719

IUPAC4-[(2-ethyl-1,3-thiazol-4-yl)methoxy]-N-methylaniline
SMILESCCc1nc(COc2ccc(NC)cc2)cs1
InChIInChI=1S/C13H16N2OS/c1-3-13-15-11(9-17-13)8-16-12-6-4-10(14-2)5-7-12/h4-7,9,14H,3,8H2,1-2H3
InChIKeyRAJNUGGHTYIRIJ-UHFFFAOYSA-N
MW248.35 g/mol
LogP3.33
Rot. Bonds5

About 4-[(2-ethyl-1,3-thiazol-4-yl)methoxy]-N-methylaniline

4-[(2-ethyl-1,3-thiazol-4-yl)methoxy]-N-methylaniline (PubChem CID 55136719) has the molecular formula C13H16N2OS and a molecular weight of 248.35 g/mol. Its IUPAC name is 4-[(2-ethyl-1,3-thiazol-4-yl)methoxy]-N-methylaniline.

Molecular Properties

Compound Name4-[(2-ethyl-1,3-thiazol-4-yl)methoxy]-N-methylaniline
PubChem CID55136719
Molecular FormulaC13H16N2OS
Molecular Weight248.35 g/mol
Exact Mass248.10
IUPAC Name4-[(2-ethyl-1,3-thiazol-4-yl)methoxy]-N-methylaniline
SMILESCCc1nc(COc2ccc(NC)cc2)cs1
InChIInChI=1S/C13H16N2OS/c1-3-13-15-11(9-17-13)8-16-12-6-4-10(14-2)5-7-12/h4-7,9,14H,3,8H2,1-2H3
InChIKeyRAJNUGGHTYIRIJ-UHFFFAOYSA-N
XLogP3.33
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.35
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[(4-ethoxyphenoxy)methyl]-2-ethyl-1,3-thiazole
CID 78878086
4-[(2-ethyl-1,3-thiazol-4-yl)methoxy]phenol
CID 61484157
1-[4-[(2-ethyl-1,3-thiazol-4-yl)methoxy]phenyl]-N-methylmethanamine
CID 54955994
methyl N-[4-[(2-ethyl-1,3-thiazol-4-yl)methoxy]phenyl]carbamate
CID 47077529
4-[(4-tert-butylphenoxy)methyl]-2-ethyl-1,3-thiazole
CID 64766048
N-[4-[(2-ethyl-1,3-thiazol-4-yl)methoxy]phenyl]-2-methylsulfanylacetamide
CID 47077563
N-methyl-4-[(4-methyl-1,3-thiazol-2-yl)methoxy]aniline
CID 39205098
2-ethyl-4-[(4-fluoro-3-methylphenoxy)methyl]-1,3-thiazole
CID 81422379
2-ethyl-4-(quinolin-3-yloxymethyl)-1,3-thiazole
CID 102846975
4-[(4-fluorophenoxy)methyl]-2-propyl-1,3-thiazole
CID 60773447
4-[(4-bromophenoxy)methyl]-2-propyl-1,3-thiazole
CID 60773438
[4-[(4-propylphenoxy)methyl]-1,3-thiazol-2-yl]methanamine
CID 62548421

Frequently Asked Questions

What is the IUPAC name of 4-[(2-ethyl-1,3-thiazol-4-yl)methoxy]-N-methylaniline?
The IUPAC name of 4-[(2-ethyl-1,3-thiazol-4-yl)methoxy]-N-methylaniline (CID 55136719) is 4-[(2-ethyl-1,3-thiazol-4-yl)methoxy]-N-methylaniline.
What is the SMILES notation for 4-[(2-ethyl-1,3-thiazol-4-yl)methoxy]-N-methylaniline?
The canonical SMILES for 4-[(2-ethyl-1,3-thiazol-4-yl)methoxy]-N-methylaniline is CCc1nc(COc2ccc(NC)cc2)cs1.
What is the InChIKey of 4-[(2-ethyl-1,3-thiazol-4-yl)methoxy]-N-methylaniline?
The InChIKey is RAJNUGGHTYIRIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2OS/c1-3-13-15-11(9-17-13)8-16-12-6-4-10(14-2)5-7-12/h4-7,9,14H,3,8H2,1-2H3.
What are the key properties of 4-[(2-ethyl-1,3-thiazol-4-yl)methoxy]-N-methylaniline?
4-[(2-ethyl-1,3-thiazol-4-yl)methoxy]-N-methylaniline has a molecular weight of 248.35 g/mol, XLogP of 3.33, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-ethyl-1,3-thiazol-4-yl)methoxy]-N-methylaniline is sourced from PubChem (CID 55136719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).