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

C12H14N2OS — CID 82276097

IUPAC2-methoxy-3-methyl-5-(2-methyl-1,3-thiazol-4-yl)aniline
SMILESCOc1c(C)cc(-c2csc(C)n2)cc1N
InChIInChI=1S/C12H14N2OS/c1-7-4-9(5-10(13)12(7)15-3)11-6-16-8(2)14-11/h4-6H,13H2,1-3H3
InChIKeyPGQAWDGTENVBJP-UHFFFAOYSA-N
MW234.32 g/mol
LogP3.02
Rot. Bonds2

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

2-methoxy-3-methyl-5-(2-methyl-1,3-thiazol-4-yl)aniline (PubChem CID 82276097) has the molecular formula C12H14N2OS and a molecular weight of 234.32 g/mol. Its IUPAC name is 2-methoxy-3-methyl-5-(2-methyl-1,3-thiazol-4-yl)aniline.

Molecular Properties

Compound Name2-methoxy-3-methyl-5-(2-methyl-1,3-thiazol-4-yl)aniline
PubChem CID82276097
Molecular FormulaC12H14N2OS
Molecular Weight234.32 g/mol
Exact Mass234.08
IUPAC Name2-methoxy-3-methyl-5-(2-methyl-1,3-thiazol-4-yl)aniline
SMILESCOc1c(C)cc(-c2csc(C)n2)cc1N
InChIInChI=1S/C12H14N2OS/c1-7-4-9(5-10(13)12(7)15-3)11-6-16-8(2)14-11/h4-6H,13H2,1-3H3
InChIKeyPGQAWDGTENVBJP-UHFFFAOYSA-N
XLogP3.02
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.32
LogP ≤ 53.02
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

[4-(4-methoxy-3,5-dimethylphenyl)-1,3-thiazol-2-yl]methanethiol
CID 116965938
4-(5-chloro-2-methoxy-3-methylphenyl)-2-methyl-1,3-thiazole
CID 116967848
4-(2-methoxy-4,5-dimethylphenyl)-2-methyl-1,3-thiazole
CID 82129096
3-fluoro-5-(2-methyl-1,3-thiazol-4-yl)aniline
CID 130835519
2-[4-(4-methoxy-3,5-dimethylphenyl)-1,3-thiazol-2-yl]acetaldehyde
CID 116968883
[2-(4-methoxy-3,5-dimethylphenyl)-1,3-thiazol-4-yl]methanamine
CID 82383295
[2-methoxy-5-(2-methyl-1,3-thiazol-4-yl)phenyl]hydrazine
CID 15335263
4-(4-methoxy-2,5-dimethylphenyl)-2-methyl-1,3-thiazole
CID 82129098
4-(3-ethyl-4-methoxyphenyl)-2-methyl-1,3-thiazole
CID 116967837
3,4,5-trimethoxy-2-[2-methoxy-5-(2-methyl-1,3-thiazol-4-yl)phenyl]benzaldehyde
CID 87612977
2-(4-methoxy-2,3,5-trimethylphenyl)-1,3-thiazol-4-amine
CID 116864215
3-methyl-4-(2-methyl-1,3-thiazol-4-yl)aniline
CID 130933181

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-3-methyl-5-(2-methyl-1,3-thiazol-4-yl)aniline?
The IUPAC name of 2-methoxy-3-methyl-5-(2-methyl-1,3-thiazol-4-yl)aniline (CID 82276097) is 2-methoxy-3-methyl-5-(2-methyl-1,3-thiazol-4-yl)aniline.
What is the SMILES notation for 2-methoxy-3-methyl-5-(2-methyl-1,3-thiazol-4-yl)aniline?
The canonical SMILES for 2-methoxy-3-methyl-5-(2-methyl-1,3-thiazol-4-yl)aniline is COc1c(C)cc(-c2csc(C)n2)cc1N.
What is the InChIKey of 2-methoxy-3-methyl-5-(2-methyl-1,3-thiazol-4-yl)aniline?
The InChIKey is PGQAWDGTENVBJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2OS/c1-7-4-9(5-10(13)12(7)15-3)11-6-16-8(2)14-11/h4-6H,13H2,1-3H3.
What are the key properties of 2-methoxy-3-methyl-5-(2-methyl-1,3-thiazol-4-yl)aniline?
2-methoxy-3-methyl-5-(2-methyl-1,3-thiazol-4-yl)aniline has a molecular weight of 234.32 g/mol, XLogP of 3.02, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-3-methyl-5-(2-methyl-1,3-thiazol-4-yl)aniline is sourced from PubChem (CID 82276097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).