2-oxo-4-thiophen-2-yl-1,5-dihydrothiochromeno[4,3-b]pyridine-3-carbonitrile

C17H10N2OS2 — CID 11840848

IUPAC2-oxo-4-thiophen-2-yl-1,5-dihydrothiochromeno[4,3-b]pyridine-3-carbonitrile
SMILESN#Cc1c(-c2cccs2)c2c([nH]c1=O)-c1ccccc1SC2
InChIInChI=1S/C17H10N2OS2/c18-8-11-15(14-6-3-7-21-14)12-9-22-13-5-2-1-4-10(13)16(12)19-17(11)20/h1-7H,9H2,(H,19,20)
InChIKeyDSEPHKVDMALQNQ-UHFFFAOYSA-N
MW322.41 g/mol
LogP4.25
Rot. Bonds1

About 2-oxo-4-thiophen-2-yl-1,5-dihydrothiochromeno[4,3-b]pyridine-3-carbonitrile

2-oxo-4-thiophen-2-yl-1,5-dihydrothiochromeno[4,3-b]pyridine-3-carbonitrile (PubChem CID 11840848) has the molecular formula C17H10N2OS2 and a molecular weight of 322.41 g/mol. Its IUPAC name is 2-oxo-4-thiophen-2-yl-1,5-dihydrothiochromeno[4,3-b]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-oxo-4-thiophen-2-yl-1,5-dihydrothiochromeno[4,3-b]pyridine-3-carbonitrile
PubChem CID11840848
Molecular FormulaC17H10N2OS2
Molecular Weight322.41 g/mol
Exact Mass322.02
IUPAC Name2-oxo-4-thiophen-2-yl-1,5-dihydrothiochromeno[4,3-b]pyridine-3-carbonitrile
SMILESN#Cc1c(-c2cccs2)c2c([nH]c1=O)-c1ccccc1SC2
InChIInChI=1S/C17H10N2OS2/c18-8-11-15(14-6-3-7-21-14)12-9-22-13-5-2-1-4-10(13)16(12)19-17(11)20/h1-7H,9H2,(H,19,20)
InChIKeyDSEPHKVDMALQNQ-UHFFFAOYSA-N
XLogP4.25
TPSA56.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-oxo-4-thiophen-2-yl-1,5-dihydrothiochromeno[4,3-b]pyridine-3-carbonitrile?
The IUPAC name of 2-oxo-4-thiophen-2-yl-1,5-dihydrothiochromeno[4,3-b]pyridine-3-carbonitrile (CID 11840848) is 2-oxo-4-thiophen-2-yl-1,5-dihydrothiochromeno[4,3-b]pyridine-3-carbonitrile.
What is the SMILES notation for 2-oxo-4-thiophen-2-yl-1,5-dihydrothiochromeno[4,3-b]pyridine-3-carbonitrile?
The canonical SMILES for 2-oxo-4-thiophen-2-yl-1,5-dihydrothiochromeno[4,3-b]pyridine-3-carbonitrile is N#Cc1c(-c2cccs2)c2c([nH]c1=O)-c1ccccc1SC2.
What is the InChIKey of 2-oxo-4-thiophen-2-yl-1,5-dihydrothiochromeno[4,3-b]pyridine-3-carbonitrile?
The InChIKey is DSEPHKVDMALQNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10N2OS2/c18-8-11-15(14-6-3-7-21-14)12-9-22-13-5-2-1-4-10(13)16(12)19-17(11)20/h1-7H,9H2,(H,19,20).
What are the key properties of 2-oxo-4-thiophen-2-yl-1,5-dihydrothiochromeno[4,3-b]pyridine-3-carbonitrile?
2-oxo-4-thiophen-2-yl-1,5-dihydrothiochromeno[4,3-b]pyridine-3-carbonitrile has a molecular weight of 322.41 g/mol, XLogP of 4.25, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-4-thiophen-2-yl-1,5-dihydrothiochromeno[4,3-b]pyridine-3-carbonitrile is sourced from PubChem (CID 11840848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).