2-oxopropyl 3-amino-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate

C13H14N2O3S — CID 170908746

IUPAC2-oxopropyl 3-amino-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate
SMILESCC(=O)COC(=O)c1sc2nc(C)cc(C)c2c1N
InChIInChI=1S/C13H14N2O3S/c1-6-4-7(2)15-12-9(6)10(14)11(19-12)13(17)18-5-8(3)16/h4H,5,14H2,1-3H3
InChIKeyQLHQSLQCLPZPJN-UHFFFAOYSA-N
MW278.33 g/mol
LogP2.24
Rot. Bonds3

About 2-oxopropyl 3-amino-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate

2-oxopropyl 3-amino-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate (PubChem CID 170908746) has the molecular formula C13H14N2O3S and a molecular weight of 278.33 g/mol. Its IUPAC name is 2-oxopropyl 3-amino-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate.

Molecular Properties

Compound Name2-oxopropyl 3-amino-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate
PubChem CID170908746
Molecular FormulaC13H14N2O3S
Molecular Weight278.33 g/mol
Exact Mass278.07
IUPAC Name2-oxopropyl 3-amino-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate
SMILESCC(=O)COC(=O)c1sc2nc(C)cc(C)c2c1N
InChIInChI=1S/C13H14N2O3S/c1-6-4-7(2)15-12-9(6)10(14)11(19-12)13(17)18-5-8(3)16/h4H,5,14H2,1-3H3
InChIKeyQLHQSLQCLPZPJN-UHFFFAOYSA-N
XLogP2.24
TPSA82.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.33
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(4-methoxyphenyl)-2-oxoethyl] 3-amino-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate
CID 17436057
3-amino-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylic acid;hydrochloride
CID 43810775
2-pyrazol-1-ylethyl 3-amino-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate
CID 75418170
3-amino-N-(2-hydroxyethyl)-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide
CID 14510410
(3-carbamoylphenyl)methyl 3-amino-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate
CID 55640832
3-amino-N,N-diethyl-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide
CID 743752
(3-methylphenyl) 3-amino-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate
CID 2028035
ethyl 3-(diacetylamino)-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate
CID 740873
3-amino-N-benzyl-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide
CID 734373
ethyl 3-(ethoxycarbonylamino)-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate
CID 10358756
3-amino-N-[(3,4-dimethoxyphenyl)methyl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide
CID 72713211
3-(3-amino-4,6-dimethylthieno[2,3-b]pyridin-2-yl)-3-oxo-N-phenylpropanamide
CID 169006544

Frequently Asked Questions

What is the IUPAC name of 2-oxopropyl 3-amino-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate?
The IUPAC name of 2-oxopropyl 3-amino-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate (CID 170908746) is 2-oxopropyl 3-amino-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate.
What is the SMILES notation for 2-oxopropyl 3-amino-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate?
The canonical SMILES for 2-oxopropyl 3-amino-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate is CC(=O)COC(=O)c1sc2nc(C)cc(C)c2c1N.
What is the InChIKey of 2-oxopropyl 3-amino-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate?
The InChIKey is QLHQSLQCLPZPJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O3S/c1-6-4-7(2)15-12-9(6)10(14)11(19-12)13(17)18-5-8(3)16/h4H,5,14H2,1-3H3.
What are the key properties of 2-oxopropyl 3-amino-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate?
2-oxopropyl 3-amino-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate has a molecular weight of 278.33 g/mol, XLogP of 2.24, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxopropyl 3-amino-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate is sourced from PubChem (CID 170908746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).