3-amino-4-methyl-5-(5-methylthiophen-2-yl)thiophene-2-carboxylic acid

C11H11NO2S2 — CID 83034931

IUPAC3-amino-4-methyl-5-(5-methylthiophen-2-yl)thiophene-2-carboxylic acid
SMILESCc1ccc(-c2sc(C(=O)O)c(N)c2C)s1
InChIInChI=1S/C11H11NO2S2/c1-5-3-4-7(15-5)9-6(2)8(12)10(16-9)11(13)14/h3-4H,12H2,1-2H3,(H,13,14)
InChIKeyAXSMNDKRBVSEDV-UHFFFAOYSA-N
MW253.35 g/mol
LogP3.37
Rot. Bonds2

About 3-amino-4-methyl-5-(5-methylthiophen-2-yl)thiophene-2-carboxylic acid

3-amino-4-methyl-5-(5-methylthiophen-2-yl)thiophene-2-carboxylic acid (PubChem CID 83034931) has the molecular formula C11H11NO2S2 and a molecular weight of 253.35 g/mol. Its IUPAC name is 3-amino-4-methyl-5-(5-methylthiophen-2-yl)thiophene-2-carboxylic acid.

Molecular Properties

Compound Name3-amino-4-methyl-5-(5-methylthiophen-2-yl)thiophene-2-carboxylic acid
PubChem CID83034931
Molecular FormulaC11H11NO2S2
Molecular Weight253.35 g/mol
Exact Mass253.02
IUPAC Name3-amino-4-methyl-5-(5-methylthiophen-2-yl)thiophene-2-carboxylic acid
SMILESCc1ccc(-c2sc(C(=O)O)c(N)c2C)s1
InChIInChI=1S/C11H11NO2S2/c1-5-3-4-7(15-5)9-6(2)8(12)10(16-9)11(13)14/h3-4H,12H2,1-2H3,(H,13,14)
InChIKeyAXSMNDKRBVSEDV-UHFFFAOYSA-N
XLogP3.37
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-4-methyl-5-(5-methylthiophen-2-yl)thiophene-2-carboxylic acid?
The IUPAC name of 3-amino-4-methyl-5-(5-methylthiophen-2-yl)thiophene-2-carboxylic acid (CID 83034931) is 3-amino-4-methyl-5-(5-methylthiophen-2-yl)thiophene-2-carboxylic acid.
What is the SMILES notation for 3-amino-4-methyl-5-(5-methylthiophen-2-yl)thiophene-2-carboxylic acid?
The canonical SMILES for 3-amino-4-methyl-5-(5-methylthiophen-2-yl)thiophene-2-carboxylic acid is Cc1ccc(-c2sc(C(=O)O)c(N)c2C)s1.
What is the InChIKey of 3-amino-4-methyl-5-(5-methylthiophen-2-yl)thiophene-2-carboxylic acid?
The InChIKey is AXSMNDKRBVSEDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO2S2/c1-5-3-4-7(15-5)9-6(2)8(12)10(16-9)11(13)14/h3-4H,12H2,1-2H3,(H,13,14).
What are the key properties of 3-amino-4-methyl-5-(5-methylthiophen-2-yl)thiophene-2-carboxylic acid?
3-amino-4-methyl-5-(5-methylthiophen-2-yl)thiophene-2-carboxylic acid has a molecular weight of 253.35 g/mol, XLogP of 3.37, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-methyl-5-(5-methylthiophen-2-yl)thiophene-2-carboxylic acid is sourced from PubChem (CID 83034931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).