2-amino-5-(2-methoxy-4,6-dimethylphenyl)thiophene-3-carboxylic acid

C14H15NO3S — CID 98020900

IUPAC2-amino-5-(2-methoxy-4,6-dimethylphenyl)thiophene-3-carboxylic acid
SMILESCOc1cc(C)cc(C)c1-c1cc(C(=O)O)c(N)s1
InChIInChI=1S/C14H15NO3S/c1-7-4-8(2)12(10(5-7)18-3)11-6-9(14(16)17)13(15)19-11/h4-6H,15H2,1-3H3,(H,16,17)
InChIKeyOBSRVTWRZMVGLE-UHFFFAOYSA-N
MW277.35 g/mol
LogP3.32
Rot. Bonds3

About 2-amino-5-(2-methoxy-4,6-dimethylphenyl)thiophene-3-carboxylic acid

2-amino-5-(2-methoxy-4,6-dimethylphenyl)thiophene-3-carboxylic acid (PubChem CID 98020900) has the molecular formula C14H15NO3S and a molecular weight of 277.35 g/mol. Its IUPAC name is 2-amino-5-(2-methoxy-4,6-dimethylphenyl)thiophene-3-carboxylic acid.

Molecular Properties

Compound Name2-amino-5-(2-methoxy-4,6-dimethylphenyl)thiophene-3-carboxylic acid
PubChem CID98020900
Molecular FormulaC14H15NO3S
Molecular Weight277.35 g/mol
Exact Mass277.08
IUPAC Name2-amino-5-(2-methoxy-4,6-dimethylphenyl)thiophene-3-carboxylic acid
SMILESCOc1cc(C)cc(C)c1-c1cc(C(=O)O)c(N)s1
InChIInChI=1S/C14H15NO3S/c1-7-4-8(2)12(10(5-7)18-3)11-6-9(14(16)17)13(15)19-11/h4-6H,15H2,1-3H3,(H,16,17)
InChIKeyOBSRVTWRZMVGLE-UHFFFAOYSA-N
XLogP3.32
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.35
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(2-methoxy-4,6-dimethylphenyl)-4-methylthiophene-2-carboxylic acid
CID 106681054
2-amino-5-(5-ethyl-2-methoxyphenyl)thiophene-3-carboxylic acid
CID 98020866
4-fluoro-2-(2-methoxy-4,6-dimethylphenyl)benzoic acid
CID 106681044
2-fluoro-5-(2-methoxy-4,6-dimethylphenyl)benzoic acid
CID 106681041
(2S)-2-amino-2-(2-methoxy-4,6-dimethylphenyl)propanoic acid
CID 165354727
2-(2-methoxy-4,6-dimethylphenyl)-1,3-oxazole-4-carboxylic acid
CID 82479713
3-methoxy-5-methylphthalic acid
CID 12908895
2-amino-4,5-dihydroxybenzoic acid;2-amino-4,5-dimethoxybenzoic acid
CID 159164706
3-(2-methoxy-4,6-dimethylphenyl)-1,2-oxazole-5-carboxylic acid
CID 117369814
2-[5-(2-methoxy-4,6-dimethylphenyl)-1H-imidazol-2-yl]acetic acid
CID 116878624
5-(2-methoxy-4,6-dimethylphenyl)-1H-imidazole-2-carboxylic acid
CID 116878539
7-methoxy-5-methyl-1-benzothiophene-2-carboxylic acid
CID 23532368

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-(2-methoxy-4,6-dimethylphenyl)thiophene-3-carboxylic acid?
The IUPAC name of 2-amino-5-(2-methoxy-4,6-dimethylphenyl)thiophene-3-carboxylic acid (CID 98020900) is 2-amino-5-(2-methoxy-4,6-dimethylphenyl)thiophene-3-carboxylic acid.
What is the SMILES notation for 2-amino-5-(2-methoxy-4,6-dimethylphenyl)thiophene-3-carboxylic acid?
The canonical SMILES for 2-amino-5-(2-methoxy-4,6-dimethylphenyl)thiophene-3-carboxylic acid is COc1cc(C)cc(C)c1-c1cc(C(=O)O)c(N)s1.
What is the InChIKey of 2-amino-5-(2-methoxy-4,6-dimethylphenyl)thiophene-3-carboxylic acid?
The InChIKey is OBSRVTWRZMVGLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO3S/c1-7-4-8(2)12(10(5-7)18-3)11-6-9(14(16)17)13(15)19-11/h4-6H,15H2,1-3H3,(H,16,17).
What are the key properties of 2-amino-5-(2-methoxy-4,6-dimethylphenyl)thiophene-3-carboxylic acid?
2-amino-5-(2-methoxy-4,6-dimethylphenyl)thiophene-3-carboxylic acid has a molecular weight of 277.35 g/mol, XLogP of 3.32, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-(2-methoxy-4,6-dimethylphenyl)thiophene-3-carboxylic acid is sourced from PubChem (CID 98020900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).