2-benzylsulfanyl-6-methyl-4-thiophen-2-yl-7,8-dihydro-5H-1,6-naphthyridine-3-carbonitrile

C21H19N3S2 — CID 11988169

IUPAC2-benzylsulfanyl-6-methyl-4-thiophen-2-yl-7,8-dihydro-5H-1,6-naphthyridine-3-carbonitrile
SMILESCN1CCc2nc(SCc3ccccc3)c(C#N)c(-c3cccs3)c2C1
InChIInChI=1S/C21H19N3S2/c1-24-10-9-18-17(13-24)20(19-8-5-11-25-19)16(12-22)21(23-18)26-14-15-6-3-2-4-7-15/h2-8,11H,9-10,13-14H2,1H3
InChIKeyUEAHVSLOPIQFHW-UHFFFAOYSA-N
MW377.54 g/mol
LogP4.96
Rot. Bonds4

About 2-benzylsulfanyl-6-methyl-4-thiophen-2-yl-7,8-dihydro-5H-1,6-naphthyridine-3-carbonitrile

2-benzylsulfanyl-6-methyl-4-thiophen-2-yl-7,8-dihydro-5H-1,6-naphthyridine-3-carbonitrile (PubChem CID 11988169) has the molecular formula C21H19N3S2 and a molecular weight of 377.54 g/mol. Its IUPAC name is 2-benzylsulfanyl-6-methyl-4-thiophen-2-yl-7,8-dihydro-5H-1,6-naphthyridine-3-carbonitrile.

Molecular Properties

Compound Name2-benzylsulfanyl-6-methyl-4-thiophen-2-yl-7,8-dihydro-5H-1,6-naphthyridine-3-carbonitrile
PubChem CID11988169
Molecular FormulaC21H19N3S2
Molecular Weight377.54 g/mol
Exact Mass377.10
IUPAC Name2-benzylsulfanyl-6-methyl-4-thiophen-2-yl-7,8-dihydro-5H-1,6-naphthyridine-3-carbonitrile
SMILESCN1CCc2nc(SCc3ccccc3)c(C#N)c(-c3cccs3)c2C1
InChIInChI=1S/C21H19N3S2/c1-24-10-9-18-17(13-24)20(19-8-5-11-25-19)16(12-22)21(23-18)26-14-15-6-3-2-4-7-15/h2-8,11H,9-10,13-14H2,1H3
InChIKeyUEAHVSLOPIQFHW-UHFFFAOYSA-N
XLogP4.96
TPSA39.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.54
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-benzylsulfanyl-6-methyl-4-thiophen-2-yl-7,8-dihydro-5H-1,6-naphthyridine-3-carbonitrile?
The IUPAC name of 2-benzylsulfanyl-6-methyl-4-thiophen-2-yl-7,8-dihydro-5H-1,6-naphthyridine-3-carbonitrile (CID 11988169) is 2-benzylsulfanyl-6-methyl-4-thiophen-2-yl-7,8-dihydro-5H-1,6-naphthyridine-3-carbonitrile.
What is the SMILES notation for 2-benzylsulfanyl-6-methyl-4-thiophen-2-yl-7,8-dihydro-5H-1,6-naphthyridine-3-carbonitrile?
The canonical SMILES for 2-benzylsulfanyl-6-methyl-4-thiophen-2-yl-7,8-dihydro-5H-1,6-naphthyridine-3-carbonitrile is CN1CCc2nc(SCc3ccccc3)c(C#N)c(-c3cccs3)c2C1.
What is the InChIKey of 2-benzylsulfanyl-6-methyl-4-thiophen-2-yl-7,8-dihydro-5H-1,6-naphthyridine-3-carbonitrile?
The InChIKey is UEAHVSLOPIQFHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3S2/c1-24-10-9-18-17(13-24)20(19-8-5-11-25-19)16(12-22)21(23-18)26-14-15-6-3-2-4-7-15/h2-8,11H,9-10,13-14H2,1H3.
What are the key properties of 2-benzylsulfanyl-6-methyl-4-thiophen-2-yl-7,8-dihydro-5H-1,6-naphthyridine-3-carbonitrile?
2-benzylsulfanyl-6-methyl-4-thiophen-2-yl-7,8-dihydro-5H-1,6-naphthyridine-3-carbonitrile has a molecular weight of 377.54 g/mol, XLogP of 4.96, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzylsulfanyl-6-methyl-4-thiophen-2-yl-7,8-dihydro-5H-1,6-naphthyridine-3-carbonitrile is sourced from PubChem (CID 11988169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).