6-hydroxy-4-[(2-methyl-1,3-oxazol-4-yl)methyl]-5-oxothieno[3,2-b]pyridine-7-carboxylic acid

C13H10N2O5S — CID 138512948

IUPAC6-hydroxy-4-[(2-methyl-1,3-oxazol-4-yl)methyl]-5-oxothieno[3,2-b]pyridine-7-carboxylic acid
SMILESCc1nc(Cn2c(=O)c(O)c(C(=O)O)c3sccc32)co1
InChIInChI=1S/C13H10N2O5S/c1-6-14-7(5-20-6)4-15-8-2-3-21-11(8)9(13(18)19)10(16)12(15)17/h2-3,5,16H,4H2,1H3,(H,18,19)
InChIKeyCIPKMSGRAPCDBV-UHFFFAOYSA-N
MW306.30 g/mol
LogP1.81
Rot. Bonds3

About 6-hydroxy-4-[(2-methyl-1,3-oxazol-4-yl)methyl]-5-oxothieno[3,2-b]pyridine-7-carboxylic acid

6-hydroxy-4-[(2-methyl-1,3-oxazol-4-yl)methyl]-5-oxothieno[3,2-b]pyridine-7-carboxylic acid (PubChem CID 138512948) has the molecular formula C13H10N2O5S and a molecular weight of 306.30 g/mol. Its IUPAC name is 6-hydroxy-4-[(2-methyl-1,3-oxazol-4-yl)methyl]-5-oxothieno[3,2-b]pyridine-7-carboxylic acid.

Molecular Properties

Compound Name6-hydroxy-4-[(2-methyl-1,3-oxazol-4-yl)methyl]-5-oxothieno[3,2-b]pyridine-7-carboxylic acid
PubChem CID138512948
Molecular FormulaC13H10N2O5S
Molecular Weight306.30 g/mol
Exact Mass306.03
IUPAC Name6-hydroxy-4-[(2-methyl-1,3-oxazol-4-yl)methyl]-5-oxothieno[3,2-b]pyridine-7-carboxylic acid
SMILESCc1nc(Cn2c(=O)c(O)c(C(=O)O)c3sccc32)co1
InChIInChI=1S/C13H10N2O5S/c1-6-14-7(5-20-6)4-15-8-2-3-21-11(8)9(13(18)19)10(16)12(15)17/h2-3,5,16H,4H2,1H3,(H,18,19)
InChIKeyCIPKMSGRAPCDBV-UHFFFAOYSA-N
XLogP1.81
TPSA105.56 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.30
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 6-hydroxy-4-[(2-methyl-1,3-oxazol-4-yl)methyl]-5-oxothieno[3,2-b]pyridine-7-carboxylic acid with MolForge

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Related Compounds

4-[(1,3-dimethylpyrazol-4-yl)methyl]-6-hydroxy-5-oxothieno[3,2-b]pyridine-7-carboxylic acid
CID 164820291
6-hydroxy-5-oxo-4-[(1-phenyltriazol-4-yl)methyl]thieno[3,2-b]pyridine-7-carboxylic acid
CID 138512670
6-hydroxy-4-[(1-methylpyrazol-4-yl)methyl]-5-oxothieno[3,2-b]pyridine-7-carboxylic acid
CID 138512980
4-[(4-aminophenyl)methyl]-6-hydroxy-5-oxothieno[3,2-b]pyridine-7-carboxylic acid
CID 138512801
CID 164984844
CID 164984844
6-hydroxy-4-[[1-[(1-methylpyrazol-4-yl)methyl]pyrazol-4-yl]methyl]-5-oxothieno[3,2-b]pyridine-7-carboxylic acid
CID 138512822
6-hydroxy-4-[[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]methyl]-5-oxothieno[3,2-b]pyridine-7-carboxylic acid
CID 138512982
6-hydroxy-5-oxo-4-[(6-phenyl-3-pyridinyl)methyl]thieno[3,2-b]pyridine-7-carboxylic acid
CID 138513008
6-hydroxy-4-[(3-methylsulfonylphenyl)methyl]-5-oxothieno[3,2-b]pyridine-7-carboxylic acid
CID 138512693
6-hydroxy-4-[(2-isoquinolin-5-yl-1,3-thiazol-5-yl)methyl]-5-oxothieno[3,2-b]pyridine-7-carboxylic acid
CID 138512901
6-hydroxy-4-(oxan-4-ylmethyl)-5-oxothieno[3,2-b]pyridine-7-carboxylic acid
CID 138512802
6-hydroxy-5-oxo-4-[[1-(pyridin-4-ylmethyl)pyrazol-4-yl]methyl]thieno[3,2-b]pyridine-7-carboxylic acid
CID 138512692

Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-4-[(2-methyl-1,3-oxazol-4-yl)methyl]-5-oxothieno[3,2-b]pyridine-7-carboxylic acid?
The IUPAC name of 6-hydroxy-4-[(2-methyl-1,3-oxazol-4-yl)methyl]-5-oxothieno[3,2-b]pyridine-7-carboxylic acid (CID 138512948) is 6-hydroxy-4-[(2-methyl-1,3-oxazol-4-yl)methyl]-5-oxothieno[3,2-b]pyridine-7-carboxylic acid.
What is the SMILES notation for 6-hydroxy-4-[(2-methyl-1,3-oxazol-4-yl)methyl]-5-oxothieno[3,2-b]pyridine-7-carboxylic acid?
The canonical SMILES for 6-hydroxy-4-[(2-methyl-1,3-oxazol-4-yl)methyl]-5-oxothieno[3,2-b]pyridine-7-carboxylic acid is Cc1nc(Cn2c(=O)c(O)c(C(=O)O)c3sccc32)co1.
What is the InChIKey of 6-hydroxy-4-[(2-methyl-1,3-oxazol-4-yl)methyl]-5-oxothieno[3,2-b]pyridine-7-carboxylic acid?
The InChIKey is CIPKMSGRAPCDBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2O5S/c1-6-14-7(5-20-6)4-15-8-2-3-21-11(8)9(13(18)19)10(16)12(15)17/h2-3,5,16H,4H2,1H3,(H,18,19).
What are the key properties of 6-hydroxy-4-[(2-methyl-1,3-oxazol-4-yl)methyl]-5-oxothieno[3,2-b]pyridine-7-carboxylic acid?
6-hydroxy-4-[(2-methyl-1,3-oxazol-4-yl)methyl]-5-oxothieno[3,2-b]pyridine-7-carboxylic acid has a molecular weight of 306.30 g/mol, XLogP of 1.81, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-4-[(2-methyl-1,3-oxazol-4-yl)methyl]-5-oxothieno[3,2-b]pyridine-7-carboxylic acid is sourced from PubChem (CID 138512948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).