3,6-diamino-2-benzoylthieno[2,3-b]pyridin-7-ium-5-carbonitrile

C15H11N4OS+ — CID 6937260

IUPAC3,6-diamino-2-benzoylthieno[2,3-b]pyridin-7-ium-5-carbonitrile
SMILESN#Cc1cc2c(N)c(C(=O)c3ccccc3)sc2[nH+]c1N
InChIInChI=1S/C15H10N4OS/c16-7-9-6-10-11(17)13(21-15(10)19-14(9)18)12(20)8-4-2-1-3-5-8/h1-6H,17H2,(H2,18,19)/p+1
InChIKeyCNUZUOSGZYOVGA-UHFFFAOYSA-O
MW295.35 g/mol
LogP1.98
Rot. Bonds2

About 3,6-diamino-2-benzoylthieno[2,3-b]pyridin-7-ium-5-carbonitrile

3,6-diamino-2-benzoylthieno[2,3-b]pyridin-7-ium-5-carbonitrile (PubChem CID 6937260) has the molecular formula C15H11N4OS+ and a molecular weight of 295.35 g/mol. Its IUPAC name is 3,6-diamino-2-benzoylthieno[2,3-b]pyridin-7-ium-5-carbonitrile.

Molecular Properties

Compound Name3,6-diamino-2-benzoylthieno[2,3-b]pyridin-7-ium-5-carbonitrile
PubChem CID6937260
Molecular FormulaC15H11N4OS+
Molecular Weight295.35 g/mol
Exact Mass295.06
IUPAC Name3,6-diamino-2-benzoylthieno[2,3-b]pyridin-7-ium-5-carbonitrile
SMILESN#Cc1cc2c(N)c(C(=O)c3ccccc3)sc2[nH+]c1N
InChIInChI=1S/C15H10N4OS/c16-7-9-6-10-11(17)13(21-15(10)19-14(9)18)12(20)8-4-2-1-3-5-8/h1-6H,17H2,(H2,18,19)/p+1
InChIKeyCNUZUOSGZYOVGA-UHFFFAOYSA-O
XLogP1.98
TPSA107.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.35
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3,6-diamino-2-(4-bromobenzoyl)thieno[2,3-b]pyridin-7-ium-5-carbonitrile
CID 6962518
3,6-diamino-5-cyano-N-phenylthieno[2,3-b]pyridin-7-ium-2-carboxamide
CID 3576142
benzyl 3,6-diamino-5-cyanothieno[2,3-b]pyridin-7-ium-2-carboxylate
CID 2212843
3,6-diamino-N-(2-carbamoylphenyl)-5-cyanothieno[2,3-b]pyridin-7-ium-2-carboxamide
CID 2067861
3,6-diamino-N-[(2-chlorophenyl)methyl]-5-cyanothieno[2,3-b]pyridin-7-ium-2-carboxamide
CID 7395729
N-(1-adamantyl)-3,6-diamino-5-cyanothieno[2,3-b]pyridin-7-ium-2-carboxamide
CID 7211606
3,6-diamino-N-(2-chloro-4-fluorophenyl)-5-cyanothieno[2,3-b]pyridin-7-ium-2-carboxamide
CID 7236789
4-amino-5-benzoyl-2-(2-cyanoanilino)thiophene-3-carbonitrile
CID 4275802
3-amino-2-benzoyl-6-oxo-7H-thieno[2,3-b]pyridine-5-carboxylic acid
CID 950368
3,6-diamino-2-benzoyl-4-methylthieno[2,3-b]pyridine-5-carbonitrile
CID 3366201
ethyl 3-amino-5-benzoyl-4-cyanothiophene-2-carboxylate
CID 110194656
3,6-diamino-2-benzoyl-4-phenylthieno[2,3-b]pyridine-5-carbonitrile
CID 1070240

Frequently Asked Questions

What is the IUPAC name of 3,6-diamino-2-benzoylthieno[2,3-b]pyridin-7-ium-5-carbonitrile?
The IUPAC name of 3,6-diamino-2-benzoylthieno[2,3-b]pyridin-7-ium-5-carbonitrile (CID 6937260) is 3,6-diamino-2-benzoylthieno[2,3-b]pyridin-7-ium-5-carbonitrile.
What is the SMILES notation for 3,6-diamino-2-benzoylthieno[2,3-b]pyridin-7-ium-5-carbonitrile?
The canonical SMILES for 3,6-diamino-2-benzoylthieno[2,3-b]pyridin-7-ium-5-carbonitrile is N#Cc1cc2c(N)c(C(=O)c3ccccc3)sc2[nH+]c1N.
What is the InChIKey of 3,6-diamino-2-benzoylthieno[2,3-b]pyridin-7-ium-5-carbonitrile?
The InChIKey is CNUZUOSGZYOVGA-UHFFFAOYSA-O. The full InChI is InChI=1S/C15H10N4OS/c16-7-9-6-10-11(17)13(21-15(10)19-14(9)18)12(20)8-4-2-1-3-5-8/h1-6H,17H2,(H2,18,19)/p+1.
What are the key properties of 3,6-diamino-2-benzoylthieno[2,3-b]pyridin-7-ium-5-carbonitrile?
3,6-diamino-2-benzoylthieno[2,3-b]pyridin-7-ium-5-carbonitrile has a molecular weight of 295.35 g/mol, XLogP of 1.98, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-diamino-2-benzoylthieno[2,3-b]pyridin-7-ium-5-carbonitrile is sourced from PubChem (CID 6937260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).