3-amino-5,6-dimethylthieno[2,3-b]pyridine-2-carboxylic acid

C10H10N2O2S — CID 99989482

IUPAC3-amino-5,6-dimethylthieno[2,3-b]pyridine-2-carboxylic acid
SMILESCc1cc2c(N)c(C(=O)O)sc2nc1C
InChIInChI=1S/C10H10N2O2S/c1-4-3-6-7(11)8(10(13)14)15-9(6)12-5(4)2/h3H,11H2,1-2H3,(H,13,14)
InChIKeyPUOJAHDYNVYFLX-UHFFFAOYSA-N
MW222.27 g/mol
LogP2.19
Rot. Bonds1

About 3-amino-5,6-dimethylthieno[2,3-b]pyridine-2-carboxylic acid

3-amino-5,6-dimethylthieno[2,3-b]pyridine-2-carboxylic acid (PubChem CID 99989482) has the molecular formula C10H10N2O2S and a molecular weight of 222.27 g/mol. Its IUPAC name is 3-amino-5,6-dimethylthieno[2,3-b]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-amino-5,6-dimethylthieno[2,3-b]pyridine-2-carboxylic acid
PubChem CID99989482
Molecular FormulaC10H10N2O2S
Molecular Weight222.27 g/mol
Exact Mass222.05
IUPAC Name3-amino-5,6-dimethylthieno[2,3-b]pyridine-2-carboxylic acid
SMILESCc1cc2c(N)c(C(=O)O)sc2nc1C
InChIInChI=1S/C10H10N2O2S/c1-4-3-6-7(11)8(10(13)14)15-9(6)12-5(4)2/h3H,11H2,1-2H3,(H,13,14)
InChIKeyPUOJAHDYNVYFLX-UHFFFAOYSA-N
XLogP2.19
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.27
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylic acid;hydrochloride
CID 43810775
4-(3-amino-5,6-dimethylthieno[2,3-b]pyridine-2-carbonyl)-3-methyl-2H-oxadiazol-3-ium-5-one
CID 53296810
ethyl 3-bromo-5,6-dimethylthieno[2,3-b]pyridine-2-carboxylate
CID 59279785
3-amino-5,6-dimethyl-N-[2-(trifluoromethyl)phenyl]thieno[2,3-b]pyridine-2-carboxamide
CID 171133210
methyl 3-amino-5-bromo-6-methylthieno[2,3-b]pyridine-2-carboxylate
CID 131254450
ethyl 3-[(3-amino-5,6-dimethylthieno[2,3-b]pyridine-2-carbonyl)amino]benzoate
CID 171133227
3-amino-4-methyl-6-morpholin-4-ylthieno[2,3-b]pyridine-2-carboxylic acid
CID 22269064
3-amino-6-tert-butylthieno[2,3-b]pyridine-2,4-dicarboxylic acid
CID 121210143
(3-amino-6,7-dimethylthieno[2,3-b]quinolin-2-yl)-pyrrolidin-1-ylmethanone
CID 43812047
3-amino-5-[(2-fluorophenyl)methyl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylic acid
CID 84612867
3-amino-5-benzoyl-N-(4-chlorophenyl)-6-methylthieno[2,3-b]pyridine-2-carboxamide
CID 162395187
3-amino-5-benzoyl-N-(4-methoxyphenyl)-6-methylthieno[2,3-b]pyridine-2-carboxamide
CID 155812590

Frequently Asked Questions

What is the IUPAC name of 3-amino-5,6-dimethylthieno[2,3-b]pyridine-2-carboxylic acid?
The IUPAC name of 3-amino-5,6-dimethylthieno[2,3-b]pyridine-2-carboxylic acid (CID 99989482) is 3-amino-5,6-dimethylthieno[2,3-b]pyridine-2-carboxylic acid.
What is the SMILES notation for 3-amino-5,6-dimethylthieno[2,3-b]pyridine-2-carboxylic acid?
The canonical SMILES for 3-amino-5,6-dimethylthieno[2,3-b]pyridine-2-carboxylic acid is Cc1cc2c(N)c(C(=O)O)sc2nc1C.
What is the InChIKey of 3-amino-5,6-dimethylthieno[2,3-b]pyridine-2-carboxylic acid?
The InChIKey is PUOJAHDYNVYFLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O2S/c1-4-3-6-7(11)8(10(13)14)15-9(6)12-5(4)2/h3H,11H2,1-2H3,(H,13,14).
What are the key properties of 3-amino-5,6-dimethylthieno[2,3-b]pyridine-2-carboxylic acid?
3-amino-5,6-dimethylthieno[2,3-b]pyridine-2-carboxylic acid has a molecular weight of 222.27 g/mol, XLogP of 2.19, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5,6-dimethylthieno[2,3-b]pyridine-2-carboxylic acid is sourced from PubChem (CID 99989482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).