(2-phenyl-5,7-dihydro-4H-furo[2,3-c]pyridin-6-yl)-(2-sulfanylidene-1H-pyridin-3-yl)methanone

C19H16N2O2S — CID 91643821

IUPAC(2-phenyl-5,7-dihydro-4H-furo[2,3-c]pyridin-6-yl)-(2-sulfanylidene-1H-pyridin-3-yl)methanone
SMILESO=C(c1ccc[nH]c1=S)N1CCc2cc(-c3ccccc3)oc2C1
InChIInChI=1S/C19H16N2O2S/c22-19(15-7-4-9-20-18(15)24)21-10-8-14-11-16(23-17(14)12-21)13-5-2-1-3-6-13/h1-7,9,11H,8,10,12H2,(H,20,24)
InChIKeyXBQRCBZJMTZYOZ-UHFFFAOYSA-N
MW336.42 g/mol
LogP4.20
Rot. Bonds2

About (2-phenyl-5,7-dihydro-4H-furo[2,3-c]pyridin-6-yl)-(2-sulfanylidene-1H-pyridin-3-yl)methanone

(2-phenyl-5,7-dihydro-4H-furo[2,3-c]pyridin-6-yl)-(2-sulfanylidene-1H-pyridin-3-yl)methanone (PubChem CID 91643821) has the molecular formula C19H16N2O2S and a molecular weight of 336.42 g/mol. Its IUPAC name is (2-phenyl-5,7-dihydro-4H-furo[2,3-c]pyridin-6-yl)-(2-sulfanylidene-1H-pyridin-3-yl)methanone.

Molecular Properties

Compound Name(2-phenyl-5,7-dihydro-4H-furo[2,3-c]pyridin-6-yl)-(2-sulfanylidene-1H-pyridin-3-yl)methanone
PubChem CID91643821
Molecular FormulaC19H16N2O2S
Molecular Weight336.42 g/mol
Exact Mass336.09
IUPAC Name(2-phenyl-5,7-dihydro-4H-furo[2,3-c]pyridin-6-yl)-(2-sulfanylidene-1H-pyridin-3-yl)methanone
SMILESO=C(c1ccc[nH]c1=S)N1CCc2cc(-c3ccccc3)oc2C1
InChIInChI=1S/C19H16N2O2S/c22-19(15-7-4-9-20-18(15)24)21-10-8-14-11-16(23-17(14)12-21)13-5-2-1-3-6-13/h1-7,9,11H,8,10,12H2,(H,20,24)
InChIKeyXBQRCBZJMTZYOZ-UHFFFAOYSA-N
XLogP4.20
TPSA49.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.42
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2-phenyl-5,7-dihydro-4H-furo[2,3-c]pyridin-6-yl)-(2-sulfanylidene-1H-pyridin-3-yl)methanone?
The IUPAC name of (2-phenyl-5,7-dihydro-4H-furo[2,3-c]pyridin-6-yl)-(2-sulfanylidene-1H-pyridin-3-yl)methanone (CID 91643821) is (2-phenyl-5,7-dihydro-4H-furo[2,3-c]pyridin-6-yl)-(2-sulfanylidene-1H-pyridin-3-yl)methanone.
What is the SMILES notation for (2-phenyl-5,7-dihydro-4H-furo[2,3-c]pyridin-6-yl)-(2-sulfanylidene-1H-pyridin-3-yl)methanone?
The canonical SMILES for (2-phenyl-5,7-dihydro-4H-furo[2,3-c]pyridin-6-yl)-(2-sulfanylidene-1H-pyridin-3-yl)methanone is O=C(c1ccc[nH]c1=S)N1CCc2cc(-c3ccccc3)oc2C1.
What is the InChIKey of (2-phenyl-5,7-dihydro-4H-furo[2,3-c]pyridin-6-yl)-(2-sulfanylidene-1H-pyridin-3-yl)methanone?
The InChIKey is XBQRCBZJMTZYOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O2S/c22-19(15-7-4-9-20-18(15)24)21-10-8-14-11-16(23-17(14)12-21)13-5-2-1-3-6-13/h1-7,9,11H,8,10,12H2,(H,20,24).
What are the key properties of (2-phenyl-5,7-dihydro-4H-furo[2,3-c]pyridin-6-yl)-(2-sulfanylidene-1H-pyridin-3-yl)methanone?
(2-phenyl-5,7-dihydro-4H-furo[2,3-c]pyridin-6-yl)-(2-sulfanylidene-1H-pyridin-3-yl)methanone has a molecular weight of 336.42 g/mol, XLogP of 4.20, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-phenyl-5,7-dihydro-4H-furo[2,3-c]pyridin-6-yl)-(2-sulfanylidene-1H-pyridin-3-yl)methanone is sourced from PubChem (CID 91643821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).