3,6-diamino-5-cyano-N-(4-methylphenyl)thieno[2,3-b]pyridine-2-carboxamide;ethanol

C18H19N5O2S — CID 15944685

IUPAC3,6-diamino-5-cyano-N-(4-methylphenyl)thieno[2,3-b]pyridine-2-carboxamide;ethanol
SMILESCCO.Cc1ccc(NC(=O)c2sc3nc(N)c(C#N)cc3c2N)cc1
InChIInChI=1S/C16H13N5OS.C2H6O/c1-8-2-4-10(5-3-8)20-15(22)13-12(18)11-6-9(7-17)14(19)21-16(11)23-13;1-2-3/h2-6H,18H2,1H3,(H2,19,21)(H,20,22);3H,2H2,1H3
InChIKeyAKFUYIAFZHYRCR-UHFFFAOYSA-N
MW369.45 g/mol
LogP2.89
Rot. Bonds2

About 3,6-diamino-5-cyano-N-(4-methylphenyl)thieno[2,3-b]pyridine-2-carboxamide;ethanol

3,6-diamino-5-cyano-N-(4-methylphenyl)thieno[2,3-b]pyridine-2-carboxamide;ethanol (PubChem CID 15944685) has the molecular formula C18H19N5O2S and a molecular weight of 369.45 g/mol. Its IUPAC name is 3,6-diamino-5-cyano-N-(4-methylphenyl)thieno[2,3-b]pyridine-2-carboxamide;ethanol.

Molecular Properties

Compound Name3,6-diamino-5-cyano-N-(4-methylphenyl)thieno[2,3-b]pyridine-2-carboxamide;ethanol
PubChem CID15944685
Molecular FormulaC18H19N5O2S
Molecular Weight369.45 g/mol
Exact Mass369.13
IUPAC Name3,6-diamino-5-cyano-N-(4-methylphenyl)thieno[2,3-b]pyridine-2-carboxamide;ethanol
SMILESCCO.Cc1ccc(NC(=O)c2sc3nc(N)c(C#N)cc3c2N)cc1
InChIInChI=1S/C16H13N5OS.C2H6O/c1-8-2-4-10(5-3-8)20-15(22)13-12(18)11-6-9(7-17)14(19)21-16(11)23-13;1-2-3/h2-6H,18H2,1H3,(H2,19,21)(H,20,22);3H,2H2,1H3
InChIKeyAKFUYIAFZHYRCR-UHFFFAOYSA-N
XLogP2.89
TPSA138.05 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.45
LogP ≤ 52.89
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3,6-diamino-5-cyano-N-(4-methylphenyl)thieno[2,3-b]pyridine-2-carboxamide;ethanol?
The IUPAC name of 3,6-diamino-5-cyano-N-(4-methylphenyl)thieno[2,3-b]pyridine-2-carboxamide;ethanol (CID 15944685) is 3,6-diamino-5-cyano-N-(4-methylphenyl)thieno[2,3-b]pyridine-2-carboxamide;ethanol.
What is the SMILES notation for 3,6-diamino-5-cyano-N-(4-methylphenyl)thieno[2,3-b]pyridine-2-carboxamide;ethanol?
The canonical SMILES for 3,6-diamino-5-cyano-N-(4-methylphenyl)thieno[2,3-b]pyridine-2-carboxamide;ethanol is CCO.Cc1ccc(NC(=O)c2sc3nc(N)c(C#N)cc3c2N)cc1.
What is the InChIKey of 3,6-diamino-5-cyano-N-(4-methylphenyl)thieno[2,3-b]pyridine-2-carboxamide;ethanol?
The InChIKey is AKFUYIAFZHYRCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N5OS.C2H6O/c1-8-2-4-10(5-3-8)20-15(22)13-12(18)11-6-9(7-17)14(19)21-16(11)23-13;1-2-3/h2-6H,18H2,1H3,(H2,19,21)(H,20,22);3H,2H2,1H3.
What are the key properties of 3,6-diamino-5-cyano-N-(4-methylphenyl)thieno[2,3-b]pyridine-2-carboxamide;ethanol?
3,6-diamino-5-cyano-N-(4-methylphenyl)thieno[2,3-b]pyridine-2-carboxamide;ethanol has a molecular weight of 369.45 g/mol, XLogP of 2.89, 2 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-diamino-5-cyano-N-(4-methylphenyl)thieno[2,3-b]pyridine-2-carboxamide;ethanol is sourced from PubChem (CID 15944685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).