5-methoxy-2-[(4-methyl-1,3-thiazol-2-yl)oxy]aniline

C11H12N2O2S — CID 43364015

IUPAC5-methoxy-2-[(4-methyl-1,3-thiazol-2-yl)oxy]aniline
SMILESCOc1ccc(Oc2nc(C)cs2)c(N)c1
InChIInChI=1S/C11H12N2O2S/c1-7-6-16-11(13-7)15-10-4-3-8(14-2)5-9(10)12/h3-6H,12H2,1-2H3
InChIKeyYJASLNPSEHNKCN-UHFFFAOYSA-N
MW236.30 g/mol
LogP2.83
Rot. Bonds3

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

5-methoxy-2-[(4-methyl-1,3-thiazol-2-yl)oxy]aniline (PubChem CID 43364015) has the molecular formula C11H12N2O2S and a molecular weight of 236.30 g/mol. Its IUPAC name is 5-methoxy-2-[(4-methyl-1,3-thiazol-2-yl)oxy]aniline.

Molecular Properties

Compound Name5-methoxy-2-[(4-methyl-1,3-thiazol-2-yl)oxy]aniline
PubChem CID43364015
Molecular FormulaC11H12N2O2S
Molecular Weight236.30 g/mol
Exact Mass236.06
IUPAC Name5-methoxy-2-[(4-methyl-1,3-thiazol-2-yl)oxy]aniline
SMILESCOc1ccc(Oc2nc(C)cs2)c(N)c1
InChIInChI=1S/C11H12N2O2S/c1-7-6-16-11(13-7)15-10-4-3-8(14-2)5-9(10)12/h3-6H,12H2,1-2H3
InChIKeyYJASLNPSEHNKCN-UHFFFAOYSA-N
XLogP2.83
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.30
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-methoxy-2-[(4-methyl-1,3-thiazol-2-yl)oxy]aniline
CID 102703002
4-methoxy-3-[(4-methyl-1,3-thiazol-2-yl)oxy]aniline
CID 43173770
2-[(4,5-dimethyl-1,3-thiazol-2-yl)oxy]-5-methoxyaniline
CID 65168671
2-(2,5-dimethoxyphenyl)-4-methyl-1,3-thiazole
CID 82083376
5-methoxy-2-(3-methylquinoxalin-2-yl)oxyaniline
CID 62375214
5-methoxy-2-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]oxy]aniline
CID 114449787
5-fluoro-2-methyl-4-[(4-methyl-1,3-thiazol-2-yl)oxy]aniline
CID 114417666
2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)oxy]-5-methoxyaniline
CID 65273837
2-(4-iodophenoxy)-4-methyl-1,3-thiazole
CID 61400116
4-(2-amino-4-methoxyphenoxy)phenol
CID 22117697
2,5-dimethoxyaniline;molecular hydrogen
CID 159599481
2-(5-fluoro-2-methylphenoxy)-5-methoxyaniline
CID 102980202

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-[(4-methyl-1,3-thiazol-2-yl)oxy]aniline?
The IUPAC name of 5-methoxy-2-[(4-methyl-1,3-thiazol-2-yl)oxy]aniline (CID 43364015) is 5-methoxy-2-[(4-methyl-1,3-thiazol-2-yl)oxy]aniline.
What is the SMILES notation for 5-methoxy-2-[(4-methyl-1,3-thiazol-2-yl)oxy]aniline?
The canonical SMILES for 5-methoxy-2-[(4-methyl-1,3-thiazol-2-yl)oxy]aniline is COc1ccc(Oc2nc(C)cs2)c(N)c1.
What is the InChIKey of 5-methoxy-2-[(4-methyl-1,3-thiazol-2-yl)oxy]aniline?
The InChIKey is YJASLNPSEHNKCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2S/c1-7-6-16-11(13-7)15-10-4-3-8(14-2)5-9(10)12/h3-6H,12H2,1-2H3.
What are the key properties of 5-methoxy-2-[(4-methyl-1,3-thiazol-2-yl)oxy]aniline?
5-methoxy-2-[(4-methyl-1,3-thiazol-2-yl)oxy]aniline has a molecular weight of 236.30 g/mol, XLogP of 2.83, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-[(4-methyl-1,3-thiazol-2-yl)oxy]aniline is sourced from PubChem (CID 43364015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).