methyl 3-amino-6-(furan-2-yl)thieno[2,3-b]pyridine-2-carboxylate

C13H10N2O3S — CID 667277

IUPACmethyl 3-amino-6-(furan-2-yl)thieno[2,3-b]pyridine-2-carboxylate
SMILESCOC(=O)c1sc2nc(-c3ccco3)ccc2c1N
InChIInChI=1S/C13H10N2O3S/c1-17-13(16)11-10(14)7-4-5-8(15-12(7)19-11)9-3-2-6-18-9/h2-6H,14H2,1H3
InChIKeyDJZMFRQCNZZSKR-UHFFFAOYSA-N
MW274.30 g/mol
LogP2.93
Rot. Bonds2

About methyl 3-amino-6-(furan-2-yl)thieno[2,3-b]pyridine-2-carboxylate

methyl 3-amino-6-(furan-2-yl)thieno[2,3-b]pyridine-2-carboxylate (PubChem CID 667277) has the molecular formula C13H10N2O3S and a molecular weight of 274.30 g/mol. Its IUPAC name is methyl 3-amino-6-(furan-2-yl)thieno[2,3-b]pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-amino-6-(furan-2-yl)thieno[2,3-b]pyridine-2-carboxylate
PubChem CID667277
Molecular FormulaC13H10N2O3S
Molecular Weight274.30 g/mol
Exact Mass274.04
IUPAC Namemethyl 3-amino-6-(furan-2-yl)thieno[2,3-b]pyridine-2-carboxylate
SMILESCOC(=O)c1sc2nc(-c3ccco3)ccc2c1N
InChIInChI=1S/C13H10N2O3S/c1-17-13(16)11-10(14)7-4-5-8(15-12(7)19-11)9-3-2-6-18-9/h2-6H,14H2,1H3
InChIKeyDJZMFRQCNZZSKR-UHFFFAOYSA-N
XLogP2.93
TPSA78.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.30
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 3-amino-6-(furan-2-yl)thieno[2,3-b]pyridine-2-carboxylate?
The IUPAC name of methyl 3-amino-6-(furan-2-yl)thieno[2,3-b]pyridine-2-carboxylate (CID 667277) is methyl 3-amino-6-(furan-2-yl)thieno[2,3-b]pyridine-2-carboxylate.
What is the SMILES notation for methyl 3-amino-6-(furan-2-yl)thieno[2,3-b]pyridine-2-carboxylate?
The canonical SMILES for methyl 3-amino-6-(furan-2-yl)thieno[2,3-b]pyridine-2-carboxylate is COC(=O)c1sc2nc(-c3ccco3)ccc2c1N.
What is the InChIKey of methyl 3-amino-6-(furan-2-yl)thieno[2,3-b]pyridine-2-carboxylate?
The InChIKey is DJZMFRQCNZZSKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2O3S/c1-17-13(16)11-10(14)7-4-5-8(15-12(7)19-11)9-3-2-6-18-9/h2-6H,14H2,1H3.
What are the key properties of methyl 3-amino-6-(furan-2-yl)thieno[2,3-b]pyridine-2-carboxylate?
methyl 3-amino-6-(furan-2-yl)thieno[2,3-b]pyridine-2-carboxylate has a molecular weight of 274.30 g/mol, XLogP of 2.93, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-amino-6-(furan-2-yl)thieno[2,3-b]pyridine-2-carboxylate is sourced from PubChem (CID 667277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).