3-amino-6-tert-butylthieno[2,3-b]pyridine-2,4-dicarboxylic acid

C13H14N2O4S — CID 121210143

IUPAC3-amino-6-tert-butylthieno[2,3-b]pyridine-2,4-dicarboxylic acid
SMILESCC(C)(C)c1cc(C(=O)O)c2c(N)c(C(=O)O)sc2n1
InChIInChI=1S/C13H14N2O4S/c1-13(2,3)6-4-5(11(16)17)7-8(14)9(12(18)19)20-10(7)15-6/h4H,14H2,1-3H3,(H,16,17)(H,18,19)
InChIKeyXZMJTRJETFGVKP-UHFFFAOYSA-N
MW294.33 g/mol
LogP2.57
Rot. Bonds2

About 3-amino-6-tert-butylthieno[2,3-b]pyridine-2,4-dicarboxylic acid

3-amino-6-tert-butylthieno[2,3-b]pyridine-2,4-dicarboxylic acid (PubChem CID 121210143) has the molecular formula C13H14N2O4S and a molecular weight of 294.33 g/mol. Its IUPAC name is 3-amino-6-tert-butylthieno[2,3-b]pyridine-2,4-dicarboxylic acid.

Molecular Properties

Compound Name3-amino-6-tert-butylthieno[2,3-b]pyridine-2,4-dicarboxylic acid
PubChem CID121210143
Molecular FormulaC13H14N2O4S
Molecular Weight294.33 g/mol
Exact Mass294.07
IUPAC Name3-amino-6-tert-butylthieno[2,3-b]pyridine-2,4-dicarboxylic acid
SMILESCC(C)(C)c1cc(C(=O)O)c2c(N)c(C(=O)O)sc2n1
InChIInChI=1S/C13H14N2O4S/c1-13(2,3)6-4-5(11(16)17)7-8(14)9(12(18)19)20-10(7)15-6/h4H,14H2,1-3H3,(H,16,17)(H,18,19)
InChIKeyXZMJTRJETFGVKP-UHFFFAOYSA-N
XLogP2.57
TPSA113.51 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.33
LogP ≤ 52.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylic acid;hydrochloride
CID 43810775
3-amino-6-(4-aminopiperidin-1-yl)thieno[2,3-b]pyridine-2,4-dicarboxylic acid
CID 22269198
3-amino-6-(4-hydroxypiperidin-1-yl)thieno[2,3-b]pyridine-2,4-dicarboxylic acid
CID 22269207
3-amino-5,6-dimethylthieno[2,3-b]pyridine-2-carboxylic acid
CID 99989482
3-amino-6-tert-butylpyridazine-4-carboxylic acid
CID 83637373
3-amino-4,6-diphenylthieno[2,3-b]pyridine-2-carboxylic acid
CID 683021
3-amino-6-phenyl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxylic acid
CID 712459
3-amino-6-cyclopropyl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxylic acid
CID 3648617
2-tert-butyl-8-methoxy-5-methylquinoline-4-carboxylic acid
CID 82184134
3-amino-4-methyl-6-morpholin-4-ylthieno[2,3-b]pyridine-2-carboxylic acid
CID 22269064
sodium 3-amino-4-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxylate
CID 112758001
3-amino-6-ethyl-5-methyl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxylic acid
CID 4778634

Frequently Asked Questions

What is the IUPAC name of 3-amino-6-tert-butylthieno[2,3-b]pyridine-2,4-dicarboxylic acid?
The IUPAC name of 3-amino-6-tert-butylthieno[2,3-b]pyridine-2,4-dicarboxylic acid (CID 121210143) is 3-amino-6-tert-butylthieno[2,3-b]pyridine-2,4-dicarboxylic acid.
What is the SMILES notation for 3-amino-6-tert-butylthieno[2,3-b]pyridine-2,4-dicarboxylic acid?
The canonical SMILES for 3-amino-6-tert-butylthieno[2,3-b]pyridine-2,4-dicarboxylic acid is CC(C)(C)c1cc(C(=O)O)c2c(N)c(C(=O)O)sc2n1.
What is the InChIKey of 3-amino-6-tert-butylthieno[2,3-b]pyridine-2,4-dicarboxylic acid?
The InChIKey is XZMJTRJETFGVKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O4S/c1-13(2,3)6-4-5(11(16)17)7-8(14)9(12(18)19)20-10(7)15-6/h4H,14H2,1-3H3,(H,16,17)(H,18,19).
What are the key properties of 3-amino-6-tert-butylthieno[2,3-b]pyridine-2,4-dicarboxylic acid?
3-amino-6-tert-butylthieno[2,3-b]pyridine-2,4-dicarboxylic acid has a molecular weight of 294.33 g/mol, XLogP of 2.57, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-tert-butylthieno[2,3-b]pyridine-2,4-dicarboxylic acid is sourced from PubChem (CID 121210143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).