[4-hydroxy-7-methyl-3-(2-methylpropyl)-6-oxothieno[2,3-b]pyridin-5-yl] acetate

C14H17NO4S — CID 174510861

IUPAC[4-hydroxy-7-methyl-3-(2-methylpropyl)-6-oxothieno[2,3-b]pyridin-5-yl] acetate
SMILESCC(=O)Oc1c(O)c2c(CC(C)C)csc2n(C)c1=O
InChIInChI=1S/C14H17NO4S/c1-7(2)5-9-6-20-14-10(9)11(17)12(19-8(3)16)13(18)15(14)4/h6-7,17H,5H2,1-4H3
InChIKeyWSUKHBDIRKTGMI-UHFFFAOYSA-N
MW295.36 g/mol
LogP2.43
Rot. Bonds3

About [4-hydroxy-7-methyl-3-(2-methylpropyl)-6-oxothieno[2,3-b]pyridin-5-yl] acetate

[4-hydroxy-7-methyl-3-(2-methylpropyl)-6-oxothieno[2,3-b]pyridin-5-yl] acetate (PubChem CID 174510861) has the molecular formula C14H17NO4S and a molecular weight of 295.36 g/mol. Its IUPAC name is [4-hydroxy-7-methyl-3-(2-methylpropyl)-6-oxothieno[2,3-b]pyridin-5-yl] acetate.

Molecular Properties

Compound Name[4-hydroxy-7-methyl-3-(2-methylpropyl)-6-oxothieno[2,3-b]pyridin-5-yl] acetate
PubChem CID174510861
Molecular FormulaC14H17NO4S
Molecular Weight295.36 g/mol
Exact Mass295.09
IUPAC Name[4-hydroxy-7-methyl-3-(2-methylpropyl)-6-oxothieno[2,3-b]pyridin-5-yl] acetate
SMILESCC(=O)Oc1c(O)c2c(CC(C)C)csc2n(C)c1=O
InChIInChI=1S/C14H17NO4S/c1-7(2)5-9-6-20-14-10(9)11(17)12(19-8(3)16)13(18)15(14)4/h6-7,17H,5H2,1-4H3
InChIKeyWSUKHBDIRKTGMI-UHFFFAOYSA-N
XLogP2.43
TPSA68.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.36
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(4-hydroxy-7-methyl-6-oxo-3-propan-2-ylthieno[2,3-b]pyridin-5-yl) acetate
CID 174510860
3-methyl-5-(2-methylpropyl)-1-(2-morpholin-4-yl-2-oxoethyl)thieno[2,3-d]pyrimidine-2,4-dione
CID 42571154
[4-(2-methylpropyl)-2-(trifluoromethyl)-3-pyridinyl] acetate
CID 174519681
[6-(difluoromethyl)-4-(2-methylpropyl)-2-(trifluoromethyl)-3-pyridinyl] acetate
CID 174520727
(3-acetyloxy-1-methyl-2-oxoquinolin-4-yl) acetate
CID 19776662
[2-hydroxy-3-(2-methylpropyl)-6-oxopyran-4-yl] acetate
CID 91550649
[4-hydroxy-2,3,6-trimethyl-5-(3-methylbutyl)phenyl] acetate
CID 22918810
[3-methyl-5-(2-methylpropyl)phenyl] acetate
CID 118269385
methyl 2-hydroxy-3-(2-methylpropyl)benzoate
CID 16754220
(2,3,5-trihydroxyindolizin-1-yl) acetate
CID 154201352
[4-hydroxy-2,3,5-trimethyl-6-(2-oxopropyl)phenyl] acetate
CID 3052183
[7-(2,5-dichlorophenoxy)-4-hydroxy-1-methyl-2-oxoquinolin-3-yl] acetate
CID 174779481

Frequently Asked Questions

What is the IUPAC name of [4-hydroxy-7-methyl-3-(2-methylpropyl)-6-oxothieno[2,3-b]pyridin-5-yl] acetate?
The IUPAC name of [4-hydroxy-7-methyl-3-(2-methylpropyl)-6-oxothieno[2,3-b]pyridin-5-yl] acetate (CID 174510861) is [4-hydroxy-7-methyl-3-(2-methylpropyl)-6-oxothieno[2,3-b]pyridin-5-yl] acetate.
What is the SMILES notation for [4-hydroxy-7-methyl-3-(2-methylpropyl)-6-oxothieno[2,3-b]pyridin-5-yl] acetate?
The canonical SMILES for [4-hydroxy-7-methyl-3-(2-methylpropyl)-6-oxothieno[2,3-b]pyridin-5-yl] acetate is CC(=O)Oc1c(O)c2c(CC(C)C)csc2n(C)c1=O.
What is the InChIKey of [4-hydroxy-7-methyl-3-(2-methylpropyl)-6-oxothieno[2,3-b]pyridin-5-yl] acetate?
The InChIKey is WSUKHBDIRKTGMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO4S/c1-7(2)5-9-6-20-14-10(9)11(17)12(19-8(3)16)13(18)15(14)4/h6-7,17H,5H2,1-4H3.
What are the key properties of [4-hydroxy-7-methyl-3-(2-methylpropyl)-6-oxothieno[2,3-b]pyridin-5-yl] acetate?
[4-hydroxy-7-methyl-3-(2-methylpropyl)-6-oxothieno[2,3-b]pyridin-5-yl] acetate has a molecular weight of 295.36 g/mol, XLogP of 2.43, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-hydroxy-7-methyl-3-(2-methylpropyl)-6-oxothieno[2,3-b]pyridin-5-yl] acetate is sourced from PubChem (CID 174510861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).