3-amino-2-carbamoyl-6-methylthieno[2,3-b]pyridine-4-carboxylic acid

C10H9N3O3S — CID 11701554

IUPAC3-amino-2-carbamoyl-6-methylthieno[2,3-b]pyridine-4-carboxylic acid
SMILESCc1cc(C(=O)O)c2c(N)c(C(N)=O)sc2n1
InChIInChI=1S/C10H9N3O3S/c1-3-2-4(10(15)16)5-6(11)7(8(12)14)17-9(5)13-3/h2H,11H2,1H3,(H2,12,14)(H,15,16)
InChIKeyZFXCZHOONZKJKL-UHFFFAOYSA-N
MW251.27 g/mol
LogP0.98
Rot. Bonds2

About 3-amino-2-carbamoyl-6-methylthieno[2,3-b]pyridine-4-carboxylic acid

3-amino-2-carbamoyl-6-methylthieno[2,3-b]pyridine-4-carboxylic acid (PubChem CID 11701554) has the molecular formula C10H9N3O3S and a molecular weight of 251.27 g/mol. Its IUPAC name is 3-amino-2-carbamoyl-6-methylthieno[2,3-b]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name3-amino-2-carbamoyl-6-methylthieno[2,3-b]pyridine-4-carboxylic acid
PubChem CID11701554
Molecular FormulaC10H9N3O3S
Molecular Weight251.27 g/mol
Exact Mass251.04
IUPAC Name3-amino-2-carbamoyl-6-methylthieno[2,3-b]pyridine-4-carboxylic acid
SMILESCc1cc(C(=O)O)c2c(N)c(C(N)=O)sc2n1
InChIInChI=1S/C10H9N3O3S/c1-3-2-4(10(15)16)5-6(11)7(8(12)14)17-9(5)13-3/h2H,11H2,1H3,(H2,12,14)(H,15,16)
InChIKeyZFXCZHOONZKJKL-UHFFFAOYSA-N
XLogP0.98
TPSA119.30 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.27
LogP ≤ 50.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-amino-2-carbamoyl-6-methylthieno[2,3-b]pyridine-4-carboxylic acid?
The IUPAC name of 3-amino-2-carbamoyl-6-methylthieno[2,3-b]pyridine-4-carboxylic acid (CID 11701554) is 3-amino-2-carbamoyl-6-methylthieno[2,3-b]pyridine-4-carboxylic acid.
What is the SMILES notation for 3-amino-2-carbamoyl-6-methylthieno[2,3-b]pyridine-4-carboxylic acid?
The canonical SMILES for 3-amino-2-carbamoyl-6-methylthieno[2,3-b]pyridine-4-carboxylic acid is Cc1cc(C(=O)O)c2c(N)c(C(N)=O)sc2n1.
What is the InChIKey of 3-amino-2-carbamoyl-6-methylthieno[2,3-b]pyridine-4-carboxylic acid?
The InChIKey is ZFXCZHOONZKJKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3O3S/c1-3-2-4(10(15)16)5-6(11)7(8(12)14)17-9(5)13-3/h2H,11H2,1H3,(H2,12,14)(H,15,16).
What are the key properties of 3-amino-2-carbamoyl-6-methylthieno[2,3-b]pyridine-4-carboxylic acid?
3-amino-2-carbamoyl-6-methylthieno[2,3-b]pyridine-4-carboxylic acid has a molecular weight of 251.27 g/mol, XLogP of 0.98, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-carbamoyl-6-methylthieno[2,3-b]pyridine-4-carboxylic acid is sourced from PubChem (CID 11701554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).