2-methyl-4-(1,3-thiazol-5-ylmethoxy)aniline

C11H12N2OS — CID 112640166

IUPAC2-methyl-4-(1,3-thiazol-5-ylmethoxy)aniline
SMILESCc1cc(OCc2cncs2)ccc1N
InChIInChI=1S/C11H12N2OS/c1-8-4-9(2-3-11(8)12)14-6-10-5-13-7-15-10/h2-5,7H,6,12H2,1H3
InChIKeyLZXICGSKFHAWFE-UHFFFAOYSA-N
MW220.30 g/mol
LogP2.61
Rot. Bonds3

About 2-methyl-4-(1,3-thiazol-5-ylmethoxy)aniline

2-methyl-4-(1,3-thiazol-5-ylmethoxy)aniline (PubChem CID 112640166) has the molecular formula C11H12N2OS and a molecular weight of 220.30 g/mol. Its IUPAC name is 2-methyl-4-(1,3-thiazol-5-ylmethoxy)aniline.

Molecular Properties

Compound Name2-methyl-4-(1,3-thiazol-5-ylmethoxy)aniline
PubChem CID112640166
Molecular FormulaC11H12N2OS
Molecular Weight220.30 g/mol
Exact Mass220.07
IUPAC Name2-methyl-4-(1,3-thiazol-5-ylmethoxy)aniline
SMILESCc1cc(OCc2cncs2)ccc1N
InChIInChI=1S/C11H12N2OS/c1-8-4-9(2-3-11(8)12)14-6-10-5-13-7-15-10/h2-5,7H,6,12H2,1H3
InChIKeyLZXICGSKFHAWFE-UHFFFAOYSA-N
XLogP2.61
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.30
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-[(3-bromo-4-fluorophenoxy)methyl]-1,3-thiazole
CID 112640679
1-[2-bromo-5-(1,3-thiazol-5-ylmethoxy)phenyl]butan-2-amine
CID 112643638
2-bromo-5-(1,3-thiazol-5-ylmethoxy)benzaldehyde
CID 112640713
[2-fluoro-4-(1,3-thiazol-5-ylmethoxy)phenyl]-dimethylborane
CID 58430075
1,3-thiazol-5-ylmethyl 2-amino-5-methoxybenzoate
CID 112643715
5-[(6-chloro-3-pyridinyl)oxymethyl]-1,3-thiazole
CID 112645504
4-[(4-iodophenyl)methoxy]-2-methylaniline
CID 65498774
2-chloro-N'-hydroxy-4-(1,3-thiazol-5-ylmethoxy)benzenecarboximidamide
CID 102724377
5-[(5-fluoro-2-methylphenoxy)methyl]-1,3-thiazole
CID 102990539
3-bromo-2-(1,3-thiazol-5-ylmethoxy)aniline
CID 112640206
2-chloro-4-(1,3-thiazol-5-ylmethoxy)benzonitrile
CID 102724111
[4-propoxy-2-(1,3-thiazol-5-ylmethoxy)phenyl]methanamine
CID 112640347

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(1,3-thiazol-5-ylmethoxy)aniline?
The IUPAC name of 2-methyl-4-(1,3-thiazol-5-ylmethoxy)aniline (CID 112640166) is 2-methyl-4-(1,3-thiazol-5-ylmethoxy)aniline.
What is the SMILES notation for 2-methyl-4-(1,3-thiazol-5-ylmethoxy)aniline?
The canonical SMILES for 2-methyl-4-(1,3-thiazol-5-ylmethoxy)aniline is Cc1cc(OCc2cncs2)ccc1N.
What is the InChIKey of 2-methyl-4-(1,3-thiazol-5-ylmethoxy)aniline?
The InChIKey is LZXICGSKFHAWFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2OS/c1-8-4-9(2-3-11(8)12)14-6-10-5-13-7-15-10/h2-5,7H,6,12H2,1H3.
What are the key properties of 2-methyl-4-(1,3-thiazol-5-ylmethoxy)aniline?
2-methyl-4-(1,3-thiazol-5-ylmethoxy)aniline has a molecular weight of 220.30 g/mol, XLogP of 2.61, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(1,3-thiazol-5-ylmethoxy)aniline is sourced from PubChem (CID 112640166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).