3-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-1,2,4-thiadiazole-5-carbonitrile

C12H8N4OS — CID 82380634

IUPAC3-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-1,2,4-thiadiazole-5-carbonitrile
SMILESN#Cc1nc(-c2ccc3c(c2)CCC(=O)N3)ns1
InChIInChI=1S/C12H8N4OS/c13-6-11-15-12(16-18-11)8-1-3-9-7(5-8)2-4-10(17)14-9/h1,3,5H,2,4H2,(H,14,17)
InChIKeyWHPUGAZETOXRNN-UHFFFAOYSA-N
MW256.29 g/mol
LogP1.96
Rot. Bonds1

About 3-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-1,2,4-thiadiazole-5-carbonitrile

3-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-1,2,4-thiadiazole-5-carbonitrile (PubChem CID 82380634) has the molecular formula C12H8N4OS and a molecular weight of 256.29 g/mol. Its IUPAC name is 3-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-1,2,4-thiadiazole-5-carbonitrile.

Molecular Properties

Compound Name3-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-1,2,4-thiadiazole-5-carbonitrile
PubChem CID82380634
Molecular FormulaC12H8N4OS
Molecular Weight256.29 g/mol
Exact Mass256.04
IUPAC Name3-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-1,2,4-thiadiazole-5-carbonitrile
SMILESN#Cc1nc(-c2ccc3c(c2)CCC(=O)N3)ns1
InChIInChI=1S/C12H8N4OS/c13-6-11-15-12(16-18-11)8-1-3-9-7(5-8)2-4-10(17)14-9/h1,3,5H,2,4H2,(H,14,17)
InChIKeyWHPUGAZETOXRNN-UHFFFAOYSA-N
XLogP1.96
TPSA78.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.29
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-1,3-thiazole-4-carbonitrile
CID 116889922
4-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)pyrimidine-2-carbonitrile
CID 116900840
5-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-1H-pyrazole-3-carbonitrile
CID 116858528
6-[2-(methylaminomethyl)-1,3-thiazol-4-yl]-3,4-dihydro-1H-quinolin-2-one
CID 95475662
6-[2-bromo-5-(methylaminomethyl)-1H-imidazol-4-yl]-3,4-dihydro-1H-quinolin-2-one
CID 84610309
6-[6-methyl-2-(methylamino)pyrimidin-4-yl]-3,4-dihydro-1H-quinolin-2-one
CID 116894637
6-(5-aminothiophen-2-yl)-3,4-dihydro-1H-quinolin-2-one
CID 82478582
6-(1,2-diaminoimidazol-4-yl)-3,4-dihydro-1H-quinolin-2-one
CID 82293668
3-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]pyridazine-4-carbonitrile
CID 80510072
6-[4-(dimethylamino)phenyl]-3,4-dihydro-1H-quinolin-2-one
CID 12001471
6-(2-bromo-6-methylpyrimidin-4-yl)-3,4-dihydro-1H-quinolin-2-one
CID 116897256
6-(5-fluoro-2-methyl-1H-imidazol-4-yl)-3,4-dihydro-1H-quinolin-2-one
CID 166047857

Frequently Asked Questions

What is the IUPAC name of 3-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-1,2,4-thiadiazole-5-carbonitrile?
The IUPAC name of 3-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-1,2,4-thiadiazole-5-carbonitrile (CID 82380634) is 3-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-1,2,4-thiadiazole-5-carbonitrile.
What is the SMILES notation for 3-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-1,2,4-thiadiazole-5-carbonitrile?
The canonical SMILES for 3-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-1,2,4-thiadiazole-5-carbonitrile is N#Cc1nc(-c2ccc3c(c2)CCC(=O)N3)ns1.
What is the InChIKey of 3-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-1,2,4-thiadiazole-5-carbonitrile?
The InChIKey is WHPUGAZETOXRNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8N4OS/c13-6-11-15-12(16-18-11)8-1-3-9-7(5-8)2-4-10(17)14-9/h1,3,5H,2,4H2,(H,14,17).
What are the key properties of 3-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-1,2,4-thiadiazole-5-carbonitrile?
3-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-1,2,4-thiadiazole-5-carbonitrile has a molecular weight of 256.29 g/mol, XLogP of 1.96, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-1,2,4-thiadiazole-5-carbonitrile is sourced from PubChem (CID 82380634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).