2,4-diamino-7-methoxy-5H-thiochromeno[2,3-b]pyridine-3-carbonitrile

C14H12N4OS — CID 22391937

IUPAC2,4-diamino-7-methoxy-5H-thiochromeno[2,3-b]pyridine-3-carbonitrile
SMILESCOc1ccc2c(c1)Cc1c(nc(N)c(C#N)c1N)S2
InChIInChI=1S/C14H12N4OS/c1-19-8-2-3-11-7(4-8)5-9-12(16)10(6-15)13(17)18-14(9)20-11/h2-4H,5H2,1H3,(H4,16,17,18)
InChIKeyJAYUMRYTKVJEER-UHFFFAOYSA-N
MW284.34 g/mol
LogP2.18
Rot. Bonds1

About 2,4-diamino-7-methoxy-5H-thiochromeno[2,3-b]pyridine-3-carbonitrile

2,4-diamino-7-methoxy-5H-thiochromeno[2,3-b]pyridine-3-carbonitrile (PubChem CID 22391937) has the molecular formula C14H12N4OS and a molecular weight of 284.34 g/mol. Its IUPAC name is 2,4-diamino-7-methoxy-5H-thiochromeno[2,3-b]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2,4-diamino-7-methoxy-5H-thiochromeno[2,3-b]pyridine-3-carbonitrile
PubChem CID22391937
Molecular FormulaC14H12N4OS
Molecular Weight284.34 g/mol
Exact Mass284.07
IUPAC Name2,4-diamino-7-methoxy-5H-thiochromeno[2,3-b]pyridine-3-carbonitrile
SMILESCOc1ccc2c(c1)Cc1c(nc(N)c(C#N)c1N)S2
InChIInChI=1S/C14H12N4OS/c1-19-8-2-3-11-7(4-8)5-9-12(16)10(6-15)13(17)18-14(9)20-11/h2-4H,5H2,1H3,(H4,16,17,18)
InChIKeyJAYUMRYTKVJEER-UHFFFAOYSA-N
XLogP2.18
TPSA97.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.34
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2,4-diamino-7-methoxy-5H-thiochromeno[2,3-b]pyridine-3-carbonitrile?
The IUPAC name of 2,4-diamino-7-methoxy-5H-thiochromeno[2,3-b]pyridine-3-carbonitrile (CID 22391937) is 2,4-diamino-7-methoxy-5H-thiochromeno[2,3-b]pyridine-3-carbonitrile.
What is the SMILES notation for 2,4-diamino-7-methoxy-5H-thiochromeno[2,3-b]pyridine-3-carbonitrile?
The canonical SMILES for 2,4-diamino-7-methoxy-5H-thiochromeno[2,3-b]pyridine-3-carbonitrile is COc1ccc2c(c1)Cc1c(nc(N)c(C#N)c1N)S2.
What is the InChIKey of 2,4-diamino-7-methoxy-5H-thiochromeno[2,3-b]pyridine-3-carbonitrile?
The InChIKey is JAYUMRYTKVJEER-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4OS/c1-19-8-2-3-11-7(4-8)5-9-12(16)10(6-15)13(17)18-14(9)20-11/h2-4H,5H2,1H3,(H4,16,17,18).
What are the key properties of 2,4-diamino-7-methoxy-5H-thiochromeno[2,3-b]pyridine-3-carbonitrile?
2,4-diamino-7-methoxy-5H-thiochromeno[2,3-b]pyridine-3-carbonitrile has a molecular weight of 284.34 g/mol, XLogP of 2.18, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diamino-7-methoxy-5H-thiochromeno[2,3-b]pyridine-3-carbonitrile is sourced from PubChem (CID 22391937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).