1-(2-amino-3-methoxyphenyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone

C13H14N2O2S — CID 107469186

IUPAC1-(2-amino-3-methoxyphenyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone
SMILESCOc1cccc(C(=O)Cc2csc(C)n2)c1N
InChIInChI=1S/C13H14N2O2S/c1-8-15-9(7-18-8)6-11(16)10-4-3-5-12(17-2)13(10)14/h3-5,7H,6,14H2,1-2H3
InChIKeyMHMOVZJSOCIFBL-UHFFFAOYSA-N
MW262.33 g/mol
LogP2.47
Rot. Bonds4

About 1-(2-amino-3-methoxyphenyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone

1-(2-amino-3-methoxyphenyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone (PubChem CID 107469186) has the molecular formula C13H14N2O2S and a molecular weight of 262.33 g/mol. Its IUPAC name is 1-(2-amino-3-methoxyphenyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone.

Molecular Properties

Compound Name1-(2-amino-3-methoxyphenyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone
PubChem CID107469186
Molecular FormulaC13H14N2O2S
Molecular Weight262.33 g/mol
Exact Mass262.08
IUPAC Name1-(2-amino-3-methoxyphenyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone
SMILESCOc1cccc(C(=O)Cc2csc(C)n2)c1N
InChIInChI=1S/C13H14N2O2S/c1-8-15-9(7-18-8)6-11(16)10-4-3-5-12(17-2)13(10)14/h3-5,7H,6,14H2,1-2H3
InChIKeyMHMOVZJSOCIFBL-UHFFFAOYSA-N
XLogP2.47
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 52.47
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

1-(2,4-dimethoxyphenyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone
CID 62799846
N-(2-methoxyphenyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 29453114
1-(3-bromo-2-methylphenyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone
CID 114979463
1-(2-chlorophenyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone
CID 62800198
N-[(2-methoxyphenyl)methyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 29454557
2-amino-1-(2-amino-3-methoxyphenyl)ethanone
CID 105438693
1-(3-aminophenyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone
CID 116548654
N-methoxy-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 60716850
2-(2-methyl-1,3-thiazol-4-yl)-1-(2,4,5-trimethylphenyl)ethanone
CID 64990036
N-[(2-methoxyphenyl)methyl]-2-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide
CID 9404884
1-(2-amino-3-methoxyphenyl)-2-(3-methoxyphenyl)ethanone
CID 107469155
methyl 2-[methyl-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]benzoate
CID 43423110

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-3-methoxyphenyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone?
The IUPAC name of 1-(2-amino-3-methoxyphenyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone (CID 107469186) is 1-(2-amino-3-methoxyphenyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone.
What is the SMILES notation for 1-(2-amino-3-methoxyphenyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone?
The canonical SMILES for 1-(2-amino-3-methoxyphenyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone is COc1cccc(C(=O)Cc2csc(C)n2)c1N.
What is the InChIKey of 1-(2-amino-3-methoxyphenyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone?
The InChIKey is MHMOVZJSOCIFBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2S/c1-8-15-9(7-18-8)6-11(16)10-4-3-5-12(17-2)13(10)14/h3-5,7H,6,14H2,1-2H3.
What are the key properties of 1-(2-amino-3-methoxyphenyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone?
1-(2-amino-3-methoxyphenyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone has a molecular weight of 262.33 g/mol, XLogP of 2.47, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-3-methoxyphenyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone is sourced from PubChem (CID 107469186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).