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

C14H15NO3S — CID 83971349

IUPAC3-amino-4-(4-methoxy-2,6-dimethylphenyl)thiophene-2-carboxylic acid
SMILESCOc1cc(C)c(-c2csc(C(=O)O)c2N)c(C)c1
InChIInChI=1S/C14H15NO3S/c1-7-4-9(18-3)5-8(2)11(7)10-6-19-13(12(10)15)14(16)17/h4-6H,15H2,1-3H3,(H,16,17)
InChIKeyDNPNQTNEDNAXEK-UHFFFAOYSA-N
MW277.35 g/mol
LogP3.32
Rot. Bonds3

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

3-amino-4-(4-methoxy-2,6-dimethylphenyl)thiophene-2-carboxylic acid (PubChem CID 83971349) has the molecular formula C14H15NO3S and a molecular weight of 277.35 g/mol. Its IUPAC name is 3-amino-4-(4-methoxy-2,6-dimethylphenyl)thiophene-2-carboxylic acid.

Molecular Properties

Compound Name3-amino-4-(4-methoxy-2,6-dimethylphenyl)thiophene-2-carboxylic acid
PubChem CID83971349
Molecular FormulaC14H15NO3S
Molecular Weight277.35 g/mol
Exact Mass277.08
IUPAC Name3-amino-4-(4-methoxy-2,6-dimethylphenyl)thiophene-2-carboxylic acid
SMILESCOc1cc(C)c(-c2csc(C(=O)O)c2N)c(C)c1
InChIInChI=1S/C14H15NO3S/c1-7-4-9(18-3)5-8(2)11(7)10-6-19-13(12(10)15)14(16)17/h4-6H,15H2,1-3H3,(H,16,17)
InChIKeyDNPNQTNEDNAXEK-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

3-amino-4-methylthiophene-2-carboxamide;3-amino-4-methylthiophene-2-carboxylic acid
CID 159779125
2-amino-5-methoxybenzene-1,3-dicarboxylic acid
CID 66762655
methyl 3-amino-4-(2,5-dimethylphenyl)thiophene-2-carboxylate
CID 83971378
3-amino-5-(3,5-dimethoxyphenyl)thiophene-2-carboxylic acid
CID 83035354
3-amino-4-(5,6,7,8-tetrahydronaphthalen-2-yl)thiophene-2-carboxylic acid
CID 83971331
1-hydroxy-6-methoxy-3,8-dimethylanthracene-9,10-dione
CID 59981445
5-methoxy-2-(2-methoxyphenyl)-1,3-dimethylbenzene
CID 173290629
5-methoxy-2-methoxycarbonyl-3-methylbenzoic acid
CID 14207577
4-(4-methoxy-2-methylphenyl)-1,3-thiazole-5-carboxylic acid
CID 121414715
3-amino-4-(2,3-dihydro-1,4-benzodioxin-6-yl)thiophene-2-carboxylic acid
CID 83971336
3-(4-methoxy-2,6-dimethylphenyl)-1,2-oxazole-5-carboxylic acid
CID 82371528
4-amino-3-methylthiophene-2-carboxylic acid;hydrochloride
CID 167734856

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-(4-methoxy-2,6-dimethylphenyl)thiophene-2-carboxylic acid?
The IUPAC name of 3-amino-4-(4-methoxy-2,6-dimethylphenyl)thiophene-2-carboxylic acid (CID 83971349) is 3-amino-4-(4-methoxy-2,6-dimethylphenyl)thiophene-2-carboxylic acid.
What is the SMILES notation for 3-amino-4-(4-methoxy-2,6-dimethylphenyl)thiophene-2-carboxylic acid?
The canonical SMILES for 3-amino-4-(4-methoxy-2,6-dimethylphenyl)thiophene-2-carboxylic acid is COc1cc(C)c(-c2csc(C(=O)O)c2N)c(C)c1.
What is the InChIKey of 3-amino-4-(4-methoxy-2,6-dimethylphenyl)thiophene-2-carboxylic acid?
The InChIKey is DNPNQTNEDNAXEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO3S/c1-7-4-9(18-3)5-8(2)11(7)10-6-19-13(12(10)15)14(16)17/h4-6H,15H2,1-3H3,(H,16,17).
What are the key properties of 3-amino-4-(4-methoxy-2,6-dimethylphenyl)thiophene-2-carboxylic acid?
3-amino-4-(4-methoxy-2,6-dimethylphenyl)thiophene-2-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 3-amino-4-(4-methoxy-2,6-dimethylphenyl)thiophene-2-carboxylic acid is sourced from PubChem (CID 83971349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).