3-amino-5-(3,5-dimethoxyphenyl)thiophene-2-carboxylic acid

C13H13NO4S — CID 83035354

IUPAC3-amino-5-(3,5-dimethoxyphenyl)thiophene-2-carboxylic acid
SMILESCOc1cc(OC)cc(-c2cc(N)c(C(=O)O)s2)c1
InChIInChI=1S/C13H13NO4S/c1-17-8-3-7(4-9(5-8)18-2)11-6-10(14)12(19-11)13(15)16/h3-6H,14H2,1-2H3,(H,15,16)
InChIKeyMEJALQHIRPOVIX-UHFFFAOYSA-N
MW279.32 g/mol
LogP2.71
Rot. Bonds4

About 3-amino-5-(3,5-dimethoxyphenyl)thiophene-2-carboxylic acid

3-amino-5-(3,5-dimethoxyphenyl)thiophene-2-carboxylic acid (PubChem CID 83035354) has the molecular formula C13H13NO4S and a molecular weight of 279.32 g/mol. Its IUPAC name is 3-amino-5-(3,5-dimethoxyphenyl)thiophene-2-carboxylic acid.

Molecular Properties

Compound Name3-amino-5-(3,5-dimethoxyphenyl)thiophene-2-carboxylic acid
PubChem CID83035354
Molecular FormulaC13H13NO4S
Molecular Weight279.32 g/mol
Exact Mass279.06
IUPAC Name3-amino-5-(3,5-dimethoxyphenyl)thiophene-2-carboxylic acid
SMILESCOc1cc(OC)cc(-c2cc(N)c(C(=O)O)s2)c1
InChIInChI=1S/C13H13NO4S/c1-17-8-3-7(4-9(5-8)18-2)11-6-10(14)12(19-11)13(15)16/h3-6H,14H2,1-2H3,(H,15,16)
InChIKeyMEJALQHIRPOVIX-UHFFFAOYSA-N
XLogP2.71
TPSA81.78 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.32
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-5-(3-methylphenyl)thiophene-2-carboxylic acid
CID 83036382
3-amino-5-(3-methoxythiophen-2-yl)thiophene-2-carboxylic acid
CID 83034669
3-amino-5-(4-chloro-2-methoxyphenyl)thiophene-2-carboxylic acid
CID 83034408
3-amino-5-(furan-3-yl)thiophene-2-carboxylic acid
CID 83034402
3-amino-5-(4-methoxyphenyl)thiophene-2-carbohydrazide
CID 7131039
3-amino-5-(2-methoxy-4-nitrophenyl)thiophene-2-carboxylic acid
CID 104783573
3-amino-5-(2,4,5-trimethylphenyl)thiophene-2-carboxylic acid
CID 82302278
3-amino-5-(3-chloro-4-fluorophenyl)thiophene-2-carboxylic acid
CID 83034927
1-(3-amino-5-phenylthiophen-2-yl)ethanone
CID 2807849
3-amino-5-(2-methylphenyl)thiophene-2-carboxylic acid
CID 83035559
1,3,5-trimethoxybenzene;urea
CID 174919725
3-aminothiophene-2,5-dicarboxylic acid
CID 68557502

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-(3,5-dimethoxyphenyl)thiophene-2-carboxylic acid?
The IUPAC name of 3-amino-5-(3,5-dimethoxyphenyl)thiophene-2-carboxylic acid (CID 83035354) is 3-amino-5-(3,5-dimethoxyphenyl)thiophene-2-carboxylic acid.
What is the SMILES notation for 3-amino-5-(3,5-dimethoxyphenyl)thiophene-2-carboxylic acid?
The canonical SMILES for 3-amino-5-(3,5-dimethoxyphenyl)thiophene-2-carboxylic acid is COc1cc(OC)cc(-c2cc(N)c(C(=O)O)s2)c1.
What is the InChIKey of 3-amino-5-(3,5-dimethoxyphenyl)thiophene-2-carboxylic acid?
The InChIKey is MEJALQHIRPOVIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO4S/c1-17-8-3-7(4-9(5-8)18-2)11-6-10(14)12(19-11)13(15)16/h3-6H,14H2,1-2H3,(H,15,16).
What are the key properties of 3-amino-5-(3,5-dimethoxyphenyl)thiophene-2-carboxylic acid?
3-amino-5-(3,5-dimethoxyphenyl)thiophene-2-carboxylic acid has a molecular weight of 279.32 g/mol, XLogP of 2.71, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-(3,5-dimethoxyphenyl)thiophene-2-carboxylic acid is sourced from PubChem (CID 83035354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).