ethenyl 3-amino-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate

C12H12N2O2S — CID 691782

IUPACethenyl 3-amino-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate
SMILESC=COC(=O)c1sc2nc(C)cc(C)c2c1N
InChIInChI=1S/C12H12N2O2S/c1-4-16-12(15)10-9(13)8-6(2)5-7(3)14-11(8)17-10/h4-5H,1,13H2,2-3H3
InChIKeySIZNRRQOLUHNFB-UHFFFAOYSA-N
MW248.31 g/mol
LogP2.80
Rot. Bonds2

About ethenyl 3-amino-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate

ethenyl 3-amino-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate (PubChem CID 691782) has the molecular formula C12H12N2O2S and a molecular weight of 248.31 g/mol. Its IUPAC name is ethenyl 3-amino-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate.

Molecular Properties

Compound Nameethenyl 3-amino-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate
PubChem CID691782
Molecular FormulaC12H12N2O2S
Molecular Weight248.31 g/mol
Exact Mass248.06
IUPAC Nameethenyl 3-amino-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate
SMILESC=COC(=O)c1sc2nc(C)cc(C)c2c1N
InChIInChI=1S/C12H12N2O2S/c1-4-16-12(15)10-9(13)8-6(2)5-7(3)14-11(8)17-10/h4-5H,1,13H2,2-3H3
InChIKeySIZNRRQOLUHNFB-UHFFFAOYSA-N
XLogP2.80
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.31
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

But-2-ynyl 4-amino-7-hydroxy-2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridine-3-carboxylate
CID 197690
Ethyl 3-amino-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate
CID 334460
Methyl 3-amino-4,6-dimethylthieno(2,3-b)pyridine-2-carboxylate
CID 753694
3-amino-7,7-dimethyl-7,8-dihydro-5H-pyrano[4,3-b]thieno[3,2-e]pyridine-2-carboxamide
CID 770990
3-amino-N-cyclohexyl-4-(methoxymethyl)-6-methylthieno[2,3-b]pyridine-2-carboxamide
CID 713424
3-Amino-6-(4-fluorophenyl)-4-phenylthieno[2,3-b]pyridine-2-carboxylic acid
CID 3255800
3-Amino-4-(4-fluorophenyl)-6-phenylthieno[2,3-b]pyridine-2-carboxylic acid
CID 1215283
3-Aminothieno[2,3-b]pyridine-2-carboxylic acid
CID 323535
3-Amino-4-(methoxymethyl)-6-methylthieno[2,3-b]pyridine-2-carboxamide
CID 704064
Ethyl 3-aminothieno[2,3-b]pyridine-2-carboxylate
CID 738459
Propan-2-yl 3-amino-4,5,6-trimethylthieno[2,3-b]pyridine-2-carboxylate
CID 888534
1-Amino-5-ethyl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carboxylic acid
CID 916305

Frequently Asked Questions

What is the IUPAC name of ethenyl 3-amino-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate?
The IUPAC name of ethenyl 3-amino-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate (CID 691782) is ethenyl 3-amino-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate.
What is the SMILES notation for ethenyl 3-amino-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate?
The canonical SMILES for ethenyl 3-amino-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate is C=COC(=O)c1sc2nc(C)cc(C)c2c1N.
What is the InChIKey of ethenyl 3-amino-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate?
The InChIKey is SIZNRRQOLUHNFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O2S/c1-4-16-12(15)10-9(13)8-6(2)5-7(3)14-11(8)17-10/h4-5H,1,13H2,2-3H3.
What are the key properties of ethenyl 3-amino-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate?
ethenyl 3-amino-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate has a molecular weight of 248.31 g/mol, XLogP of 2.80, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethenyl 3-amino-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate is sourced from PubChem (CID 691782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).