3,6-diamino-2-formyl-4-propylthieno[2,3-b]pyridine-5-carbonitrile;methanamine

C13H17N5OS — CID 143064281

IUPAC3,6-diamino-2-formyl-4-propylthieno[2,3-b]pyridine-5-carbonitrile;methanamine
SMILESCCCc1c(C#N)c(N)nc2sc(C=O)c(N)c12.CN
InChIInChI=1S/C12H12N4OS.CH5N/c1-2-3-6-7(4-13)11(15)16-12-9(6)10(14)8(5-17)18-12;1-2/h5H,2-3,14H2,1H3,(H2,15,16);2H2,1H3
InChIKeyFZLBWNUVAXBHOU-UHFFFAOYSA-N
MW291.38 g/mol
LogP1.67
Rot. Bonds3

About 3,6-diamino-2-formyl-4-propylthieno[2,3-b]pyridine-5-carbonitrile;methanamine

3,6-diamino-2-formyl-4-propylthieno[2,3-b]pyridine-5-carbonitrile;methanamine (PubChem CID 143064281) has the molecular formula C13H17N5OS and a molecular weight of 291.38 g/mol. Its IUPAC name is 3,6-diamino-2-formyl-4-propylthieno[2,3-b]pyridine-5-carbonitrile;methanamine.

Molecular Properties

Compound Name3,6-diamino-2-formyl-4-propylthieno[2,3-b]pyridine-5-carbonitrile;methanamine
PubChem CID143064281
Molecular FormulaC13H17N5OS
Molecular Weight291.38 g/mol
Exact Mass291.12
IUPAC Name3,6-diamino-2-formyl-4-propylthieno[2,3-b]pyridine-5-carbonitrile;methanamine
SMILESCCCc1c(C#N)c(N)nc2sc(C=O)c(N)c12.CN
InChIInChI=1S/C12H12N4OS.CH5N/c1-2-3-6-7(4-13)11(15)16-12-9(6)10(14)8(5-17)18-12;1-2/h5H,2-3,14H2,1H3,(H2,15,16);2H2,1H3
InChIKeyFZLBWNUVAXBHOU-UHFFFAOYSA-N
XLogP1.67
TPSA131.81 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.38
LogP ≤ 51.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

3-amino-8-propyl-5-thia-7-azatricyclo[7.3.0.02,6]dodeca-1(9),2(6),3,7-tetraene-4-carbaldehyde
CID 166975756
3,6-diamino-2-formylthieno[2,3-b]pyridine-5-carbonitrile
CID 129257425
2,7-diamino-5-butyl-4-oxo-3H-pyrido[2,3-d]pyrimidine-6-carbonitrile
CID 135847939
2,5-diamino-4-(4-chlorophenyl)thieno[2,3-d]pyrimidine-6-carbaldehyde
CID 143513623
2-amino-5-butyl-4-propylthiophene-3-carbonitrile
CID 146285739
3,6-diamino-5-cyano-4-propan-2-ylthieno[2,3-b]pyridine-2-carboxamide
CID 3115449
5-amino-4-methyl-2-naphthalen-1-ylthieno[2,3-d]pyrimidine-6-carbaldehyde;methanamine
CID 143295061
ethyl 3,6-diamino-5-cyano-4-(4-methylphenyl)thieno[2,3-b]pyridine-2-carboxylate
CID 23775054
3,6-diamino-2-(4-ethylpiperazine-1-carbonyl)-4-propan-2-ylthieno[2,3-b]pyridine-5-carbonitrile
CID 21232655
2-(5-amino-6-formyl-4-methylsulfanylthieno[2,3-d]pyrimidin-2-yl)sulfanylacetamide
CID 143295066
11,13-diamino-4,4-dimethyl-5-oxa-8-thia-10-azatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraene-12-carbonitrile
CID 146020849
3-amino-6-[3-(1H-diazet-2-yl)propylamino]-2-formyl-4-thiophen-2-ylthieno[2,3-b]pyridine-5-carbonitrile
CID 143064286

Frequently Asked Questions

What is the IUPAC name of 3,6-diamino-2-formyl-4-propylthieno[2,3-b]pyridine-5-carbonitrile;methanamine?
The IUPAC name of 3,6-diamino-2-formyl-4-propylthieno[2,3-b]pyridine-5-carbonitrile;methanamine (CID 143064281) is 3,6-diamino-2-formyl-4-propylthieno[2,3-b]pyridine-5-carbonitrile;methanamine.
What is the SMILES notation for 3,6-diamino-2-formyl-4-propylthieno[2,3-b]pyridine-5-carbonitrile;methanamine?
The canonical SMILES for 3,6-diamino-2-formyl-4-propylthieno[2,3-b]pyridine-5-carbonitrile;methanamine is CCCc1c(C#N)c(N)nc2sc(C=O)c(N)c12.CN.
What is the InChIKey of 3,6-diamino-2-formyl-4-propylthieno[2,3-b]pyridine-5-carbonitrile;methanamine?
The InChIKey is FZLBWNUVAXBHOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4OS.CH5N/c1-2-3-6-7(4-13)11(15)16-12-9(6)10(14)8(5-17)18-12;1-2/h5H,2-3,14H2,1H3,(H2,15,16);2H2,1H3.
What are the key properties of 3,6-diamino-2-formyl-4-propylthieno[2,3-b]pyridine-5-carbonitrile;methanamine?
3,6-diamino-2-formyl-4-propylthieno[2,3-b]pyridine-5-carbonitrile;methanamine has a molecular weight of 291.38 g/mol, XLogP of 1.67, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-diamino-2-formyl-4-propylthieno[2,3-b]pyridine-5-carbonitrile;methanamine is sourced from PubChem (CID 143064281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).