3-amino-5-(3-methoxythiophen-2-yl)thiophene-2-carboxylic acid

C10H9NO3S2 — CID 83034669

IUPAC3-amino-5-(3-methoxythiophen-2-yl)thiophene-2-carboxylic acid
SMILESCOc1ccsc1-c1cc(N)c(C(=O)O)s1
InChIInChI=1S/C10H9NO3S2/c1-14-6-2-3-15-9(6)7-4-5(11)8(16-7)10(12)13/h2-4H,11H2,1H3,(H,12,13)
InChIKeyXVJKUUVTSARCAW-UHFFFAOYSA-N
MW255.32 g/mol
LogP2.77
Rot. Bonds3

About 3-amino-5-(3-methoxythiophen-2-yl)thiophene-2-carboxylic acid

3-amino-5-(3-methoxythiophen-2-yl)thiophene-2-carboxylic acid (PubChem CID 83034669) has the molecular formula C10H9NO3S2 and a molecular weight of 255.32 g/mol. Its IUPAC name is 3-amino-5-(3-methoxythiophen-2-yl)thiophene-2-carboxylic acid.

Molecular Properties

Compound Name3-amino-5-(3-methoxythiophen-2-yl)thiophene-2-carboxylic acid
PubChem CID83034669
Molecular FormulaC10H9NO3S2
Molecular Weight255.32 g/mol
Exact Mass255.00
IUPAC Name3-amino-5-(3-methoxythiophen-2-yl)thiophene-2-carboxylic acid
SMILESCOc1ccsc1-c1cc(N)c(C(=O)O)s1
InChIInChI=1S/C10H9NO3S2/c1-14-6-2-3-15-9(6)7-4-5(11)8(16-7)10(12)13/h2-4H,11H2,1H3,(H,12,13)
InChIKeyXVJKUUVTSARCAW-UHFFFAOYSA-N
XLogP2.77
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-5-(4-chloro-2-methoxyphenyl)thiophene-2-carboxylic acid
CID 83034408
3-amino-5-(3,5-dimethoxyphenyl)thiophene-2-carboxylic acid
CID 83035354
3-amino-5-(2-methoxy-4-nitrophenyl)thiophene-2-carboxylic acid
CID 104783573
ethyl 3-amino-5-(3-ethylthiophen-2-yl)thiophene-2-carboxylate
CID 79976064
3-amino-5-(2,4,5-trimethylphenyl)thiophene-2-carboxylic acid
CID 82302278
3-methoxy-2-(3-methoxythiophen-2-yl)thiophene
CID 10609306
3-methoxy-2-[4-methoxy-5-[4-methoxy-5-[4-methoxy-5-[4-methoxy-5-(4-methoxythiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-5-(3-methoxythiophen-2-yl)thiophene
CID 139244781
tert-butyl 3-amino-5-(3-methylthiophen-2-yl)thiophene-2-carboxylate
CID 116687089
3-amino-5-(2-methylphenyl)thiophene-2-carboxylic acid
CID 83035559
3-methoxy-2-thiophen-2-ylthiophene
CID 18353954
3-amino-5-(3-methylphenyl)thiophene-2-carboxylic acid
CID 83036382
3-amino-5-(5-bromofuran-2-yl)thiophene-2-carboxylic acid
CID 83037008

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-(3-methoxythiophen-2-yl)thiophene-2-carboxylic acid?
The IUPAC name of 3-amino-5-(3-methoxythiophen-2-yl)thiophene-2-carboxylic acid (CID 83034669) is 3-amino-5-(3-methoxythiophen-2-yl)thiophene-2-carboxylic acid.
What is the SMILES notation for 3-amino-5-(3-methoxythiophen-2-yl)thiophene-2-carboxylic acid?
The canonical SMILES for 3-amino-5-(3-methoxythiophen-2-yl)thiophene-2-carboxylic acid is COc1ccsc1-c1cc(N)c(C(=O)O)s1.
What is the InChIKey of 3-amino-5-(3-methoxythiophen-2-yl)thiophene-2-carboxylic acid?
The InChIKey is XVJKUUVTSARCAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO3S2/c1-14-6-2-3-15-9(6)7-4-5(11)8(16-7)10(12)13/h2-4H,11H2,1H3,(H,12,13).
What are the key properties of 3-amino-5-(3-methoxythiophen-2-yl)thiophene-2-carboxylic acid?
3-amino-5-(3-methoxythiophen-2-yl)thiophene-2-carboxylic acid has a molecular weight of 255.32 g/mol, XLogP of 2.77, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-(3-methoxythiophen-2-yl)thiophene-2-carboxylic acid is sourced from PubChem (CID 83034669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).