methyl 3-amino-4-oxo-5H-thieno[2,3-c]pyridine-2-carboxylate

C9H8N2O3S — CID 67730058

IUPACmethyl 3-amino-4-oxo-5H-thieno[2,3-c]pyridine-2-carboxylate
SMILESCOC(=O)c1sc2c(c1N)C(=O)CN=C2
InChIInChI=1S/C9H8N2O3S/c1-14-9(13)8-7(10)6-4(12)2-11-3-5(6)15-8/h3H,2,10H2,1H3
InChIKeyVGWNUQGTKSLZEV-UHFFFAOYSA-N
MW224.24 g/mol
LogP0.73
Rot. Bonds1

About methyl 3-amino-4-oxo-5H-thieno[2,3-c]pyridine-2-carboxylate

methyl 3-amino-4-oxo-5H-thieno[2,3-c]pyridine-2-carboxylate (PubChem CID 67730058) has the molecular formula C9H8N2O3S and a molecular weight of 224.24 g/mol. Its IUPAC name is methyl 3-amino-4-oxo-5H-thieno[2,3-c]pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-amino-4-oxo-5H-thieno[2,3-c]pyridine-2-carboxylate
PubChem CID67730058
Molecular FormulaC9H8N2O3S
Molecular Weight224.24 g/mol
Exact Mass224.03
IUPAC Namemethyl 3-amino-4-oxo-5H-thieno[2,3-c]pyridine-2-carboxylate
SMILESCOC(=O)c1sc2c(c1N)C(=O)CN=C2
InChIInChI=1S/C9H8N2O3S/c1-14-9(13)8-7(10)6-4(12)2-11-3-5(6)15-8/h3H,2,10H2,1H3
InChIKeyVGWNUQGTKSLZEV-UHFFFAOYSA-N
XLogP0.73
TPSA81.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.24
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 4H-thieno[2,3-c]pyrrole-2-carboxylate
CID 158673655
methyl 3-amino-5-methyl-4-pyridin-2-ylthiophene-2-carboxylate
CID 83971405
methyl 3-amino-4-(4-methoxyphenyl)-5-methylthiophene-2-carboxylate
CID 83971393
methyl 3-amino-5-methyl-4-pyridin-3-ylthiophene-2-carboxylate
CID 83971401
methyl 3-amino-4-(3,4-dimethylphenyl)-5-methylthiophene-2-carboxylate
CID 83971383
methyl 3-amino-6-methylthieno[2,3-b]pyridine-2-carboxylate
CID 792057
methyl 3-amino-5-cyclododecylthiophene-2-carboxylate
CID 123337713
methyl 3-amino-4-(4-hydroxyphenyl)-5-phenylthiophene-2-carboxylate
CID 67265008
methyl 3-amino-6-cyclopropylthieno[2,3-b]pyridine-2-carboxylate
CID 36995603
methyl 3-amino-4-chlorothiophene-2-carboxylate
CID 22139844
dimethyl 3-amino-5-[(2-methylcyclopropyl)amino]thiophene-2,4-dicarboxylate
CID 103526057
methyl 3-amino-4,5,6,7-tetrahydro-2-benzothiophene-1-carboxylate
CID 133058387

Frequently Asked Questions

What is the IUPAC name of methyl 3-amino-4-oxo-5H-thieno[2,3-c]pyridine-2-carboxylate?
The IUPAC name of methyl 3-amino-4-oxo-5H-thieno[2,3-c]pyridine-2-carboxylate (CID 67730058) is methyl 3-amino-4-oxo-5H-thieno[2,3-c]pyridine-2-carboxylate.
What is the SMILES notation for methyl 3-amino-4-oxo-5H-thieno[2,3-c]pyridine-2-carboxylate?
The canonical SMILES for methyl 3-amino-4-oxo-5H-thieno[2,3-c]pyridine-2-carboxylate is COC(=O)c1sc2c(c1N)C(=O)CN=C2.
What is the InChIKey of methyl 3-amino-4-oxo-5H-thieno[2,3-c]pyridine-2-carboxylate?
The InChIKey is VGWNUQGTKSLZEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O3S/c1-14-9(13)8-7(10)6-4(12)2-11-3-5(6)15-8/h3H,2,10H2,1H3.
What are the key properties of methyl 3-amino-4-oxo-5H-thieno[2,3-c]pyridine-2-carboxylate?
methyl 3-amino-4-oxo-5H-thieno[2,3-c]pyridine-2-carboxylate has a molecular weight of 224.24 g/mol, XLogP of 0.73, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-amino-4-oxo-5H-thieno[2,3-c]pyridine-2-carboxylate is sourced from PubChem (CID 67730058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).