3,6-diamino-5-cyano-4-(furan-3-yl)thieno[2,3-b]pyridine-2-carboxamide

C13H9N5O2S — CID 11220276

IUPAC3,6-diamino-5-cyano-4-(furan-3-yl)thieno[2,3-b]pyridine-2-carboxamide
SMILESN#Cc1c(N)nc2sc(C(N)=O)c(N)c2c1-c1ccoc1
InChIInChI=1S/C13H9N5O2S/c14-3-6-7(5-1-2-20-4-5)8-9(15)10(12(17)19)21-13(8)18-11(6)16/h1-2,4H,15H2,(H2,16,18)(H2,17,19)
InChIKeyZOMSRPQFTNLXPT-UHFFFAOYSA-N
MW299.32 g/mol
LogP1.69
Rot. Bonds2

About 3,6-diamino-5-cyano-4-(furan-3-yl)thieno[2,3-b]pyridine-2-carboxamide

3,6-diamino-5-cyano-4-(furan-3-yl)thieno[2,3-b]pyridine-2-carboxamide (PubChem CID 11220276) has the molecular formula C13H9N5O2S and a molecular weight of 299.32 g/mol. Its IUPAC name is 3,6-diamino-5-cyano-4-(furan-3-yl)thieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name3,6-diamino-5-cyano-4-(furan-3-yl)thieno[2,3-b]pyridine-2-carboxamide
PubChem CID11220276
Molecular FormulaC13H9N5O2S
Molecular Weight299.32 g/mol
Exact Mass299.05
IUPAC Name3,6-diamino-5-cyano-4-(furan-3-yl)thieno[2,3-b]pyridine-2-carboxamide
SMILESN#Cc1c(N)nc2sc(C(N)=O)c(N)c2c1-c1ccoc1
InChIInChI=1S/C13H9N5O2S/c14-3-6-7(5-1-2-20-4-5)8-9(15)10(12(17)19)21-13(8)18-11(6)16/h1-2,4H,15H2,(H2,16,18)(H2,17,19)
InChIKeyZOMSRPQFTNLXPT-UHFFFAOYSA-N
XLogP1.69
TPSA144.95 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.32
LogP ≤ 51.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

3,6-Diamino-5-cyano-4-(4-ethoxyphenyl)thieno(2,3-b)pyridine-2-carboxamide
CID 1916699
3-Amino-4-(2-furanyl)-6,7,8,9,10,11-hexahydro-5H-cyclonona[b]thieno[3,2-e]pyridine-2-carboxamide
CID 46830215
3-amino-4-(furan-2-yl)-6,7-dihydro-5H-cyclopenta[b]thieno[3,2-e]pyridine-2-carboxamide
CID 893110
3,6-Diamino-2-benzoyl-4-(4-ethoxyphenyl)thieno[2,3-b]pyridine-5-carbonitrile
CID 1936948
3,6-Diamino-2-benzoyl-4-(4-methoxyphenyl)thieno[2,3-b]pyridine-5-carbonitrile
CID 1972140
3-Amino-4-(furan-2-yl)-6-phenylthieno[2,3-b]pyridine-2-carboxamide
CID 1391336
3,6-Diamino-4-(4-methoxyphenyl)-2-(4-methylbenzoyl)thieno[2,3-b]pyridine-5-carbonitrile
CID 1915721
6-amino-8-[(E)-2-(furan-2-yl)ethenyl]-4-thia-2-azatricyclo[7.6.0.03,7]pentadeca-1(9),2,5,7-tetraene-5-carboxamide
CID 46830216
6-Amino-8-(furan-2-yl)-4-thia-2-azatricyclo[7.6.0.03,7]pentadeca-1(9),2,5,7-tetraene-5-carboxamide
CID 46884128
3-Amino-4-(furan-2-yl)-6-methylthieno[2,3-b]pyridine-2-carboxamide
CID 10564173
3,6-Diamino-2-benzoyl-4-(2-methoxyphenyl)thieno[2,3-b]pyridine-5-carbonitrile
CID 51347384
3,6-Diamino-4-(2-iodophenyl)-2-(4-methoxybenzoyl)thieno[2,3-b]pyridine-5-carbonitrile
CID 51347679

Frequently Asked Questions

What is the IUPAC name of 3,6-diamino-5-cyano-4-(furan-3-yl)thieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 3,6-diamino-5-cyano-4-(furan-3-yl)thieno[2,3-b]pyridine-2-carboxamide (CID 11220276) is 3,6-diamino-5-cyano-4-(furan-3-yl)thieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 3,6-diamino-5-cyano-4-(furan-3-yl)thieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 3,6-diamino-5-cyano-4-(furan-3-yl)thieno[2,3-b]pyridine-2-carboxamide is N#Cc1c(N)nc2sc(C(N)=O)c(N)c2c1-c1ccoc1.
What is the InChIKey of 3,6-diamino-5-cyano-4-(furan-3-yl)thieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is ZOMSRPQFTNLXPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9N5O2S/c14-3-6-7(5-1-2-20-4-5)8-9(15)10(12(17)19)21-13(8)18-11(6)16/h1-2,4H,15H2,(H2,16,18)(H2,17,19).
What are the key properties of 3,6-diamino-5-cyano-4-(furan-3-yl)thieno[2,3-b]pyridine-2-carboxamide?
3,6-diamino-5-cyano-4-(furan-3-yl)thieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 299.32 g/mol, XLogP of 1.69, 2 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-diamino-5-cyano-4-(furan-3-yl)thieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 11220276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).