(4-hydroxy-7-methyl-6-oxo-3-propan-2-ylthieno[2,3-b]pyridin-5-yl) acetate

C13H15NO4S — CID 174510860

IUPAC(4-hydroxy-7-methyl-6-oxo-3-propan-2-ylthieno[2,3-b]pyridin-5-yl) acetate
SMILESCC(=O)Oc1c(O)c2c(C(C)C)csc2n(C)c1=O
InChIInChI=1S/C13H15NO4S/c1-6(2)8-5-19-13-9(8)10(16)11(18-7(3)15)12(17)14(13)4/h5-6,16H,1-4H3
InChIKeyHMNDAGUYUFTACI-UHFFFAOYSA-N
MW281.33 g/mol
LogP2.35
Rot. Bonds2

About (4-hydroxy-7-methyl-6-oxo-3-propan-2-ylthieno[2,3-b]pyridin-5-yl) acetate

(4-hydroxy-7-methyl-6-oxo-3-propan-2-ylthieno[2,3-b]pyridin-5-yl) acetate (PubChem CID 174510860) has the molecular formula C13H15NO4S and a molecular weight of 281.33 g/mol. Its IUPAC name is (4-hydroxy-7-methyl-6-oxo-3-propan-2-ylthieno[2,3-b]pyridin-5-yl) acetate.

Molecular Properties

Compound Name(4-hydroxy-7-methyl-6-oxo-3-propan-2-ylthieno[2,3-b]pyridin-5-yl) acetate
PubChem CID174510860
Molecular FormulaC13H15NO4S
Molecular Weight281.33 g/mol
Exact Mass281.07
IUPAC Name(4-hydroxy-7-methyl-6-oxo-3-propan-2-ylthieno[2,3-b]pyridin-5-yl) acetate
SMILESCC(=O)Oc1c(O)c2c(C(C)C)csc2n(C)c1=O
InChIInChI=1S/C13H15NO4S/c1-6(2)8-5-19-13-9(8)10(16)11(18-7(3)15)12(17)14(13)4/h5-6,16H,1-4H3
InChIKeyHMNDAGUYUFTACI-UHFFFAOYSA-N
XLogP2.35
TPSA68.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.33
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[4-hydroxy-7-methyl-3-(2-methylpropyl)-6-oxothieno[2,3-b]pyridin-5-yl] acetate
CID 174510861
4-hydroxy-N,3,7-trimethyl-6-oxo-N-(4-propan-2-ylphenyl)thieno[2,3-b]pyridine-5-carboxamide
CID 69065667
(3-acetyloxy-1-methyl-2-oxoquinolin-4-yl) acetate
CID 19776662
[4-tert-butyl-2,6-di(propan-2-yl)phenyl] acetate
CID 613069
(2-butan-2-yl-6-propan-2-ylphenyl) acetate
CID 172616842
[4-hydroxy-3-methyl-2,6-di(propan-2-yl)phenyl] acetate
CID 14794456
[2,6-bis(2-propan-2-ylphenyl)phenyl] acetate
CID 101088092
(2,3,5-trihydroxyindolizin-1-yl) acetate
CID 154201352
[2-butan-2-yl-4,6-bis(dihydroxyamino)phenyl] acetate
CID 163139037
[7-(2,5-dichlorophenoxy)-4-hydroxy-1-methyl-2-oxoquinolin-3-yl] acetate
CID 174779481
(2,4-dichlorothiophen-3-yl) acetate
CID 174524447
(2,3,4,5,6-pentamethylphenyl) acetate
CID 12655239

Frequently Asked Questions

What is the IUPAC name of (4-hydroxy-7-methyl-6-oxo-3-propan-2-ylthieno[2,3-b]pyridin-5-yl) acetate?
The IUPAC name of (4-hydroxy-7-methyl-6-oxo-3-propan-2-ylthieno[2,3-b]pyridin-5-yl) acetate (CID 174510860) is (4-hydroxy-7-methyl-6-oxo-3-propan-2-ylthieno[2,3-b]pyridin-5-yl) acetate.
What is the SMILES notation for (4-hydroxy-7-methyl-6-oxo-3-propan-2-ylthieno[2,3-b]pyridin-5-yl) acetate?
The canonical SMILES for (4-hydroxy-7-methyl-6-oxo-3-propan-2-ylthieno[2,3-b]pyridin-5-yl) acetate is CC(=O)Oc1c(O)c2c(C(C)C)csc2n(C)c1=O.
What is the InChIKey of (4-hydroxy-7-methyl-6-oxo-3-propan-2-ylthieno[2,3-b]pyridin-5-yl) acetate?
The InChIKey is HMNDAGUYUFTACI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO4S/c1-6(2)8-5-19-13-9(8)10(16)11(18-7(3)15)12(17)14(13)4/h5-6,16H,1-4H3.
What are the key properties of (4-hydroxy-7-methyl-6-oxo-3-propan-2-ylthieno[2,3-b]pyridin-5-yl) acetate?
(4-hydroxy-7-methyl-6-oxo-3-propan-2-ylthieno[2,3-b]pyridin-5-yl) acetate has a molecular weight of 281.33 g/mol, XLogP of 2.35, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-hydroxy-7-methyl-6-oxo-3-propan-2-ylthieno[2,3-b]pyridin-5-yl) acetate is sourced from PubChem (CID 174510860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).