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

C13H9N3OS — CID 116889922

IUPAC2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-1,3-thiazole-4-carbonitrile
SMILESN#Cc1csc(-c2ccc3c(c2)CCC(=O)N3)n1
InChIInChI=1S/C13H9N3OS/c14-6-10-7-18-13(15-10)9-1-3-11-8(5-9)2-4-12(17)16-11/h1,3,5,7H,2,4H2,(H,16,17)
InChIKeyWKJCWIGMHWMYRA-UHFFFAOYSA-N
MW255.30 g/mol
LogP2.57
Rot. Bonds1

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

2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-1,3-thiazole-4-carbonitrile (PubChem CID 116889922) has the molecular formula C13H9N3OS and a molecular weight of 255.30 g/mol. Its IUPAC name is 2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-1,3-thiazole-4-carbonitrile.

Molecular Properties

Compound Name2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-1,3-thiazole-4-carbonitrile
PubChem CID116889922
Molecular FormulaC13H9N3OS
Molecular Weight255.30 g/mol
Exact Mass255.05
IUPAC Name2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-1,3-thiazole-4-carbonitrile
SMILESN#Cc1csc(-c2ccc3c(c2)CCC(=O)N3)n1
InChIInChI=1S/C13H9N3OS/c14-6-10-7-18-13(15-10)9-1-3-11-8(5-9)2-4-12(17)16-11/h1,3,5,7H,2,4H2,(H,16,17)
InChIKeyWKJCWIGMHWMYRA-UHFFFAOYSA-N
XLogP2.57
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.30
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-1H-pyrazole-3-carbonitrile
CID 116858528
3-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-1,2,4-thiadiazole-5-carbonitrile
CID 82380634
4-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)pyrimidine-2-carbonitrile
CID 116900840
6-[2-(methylaminomethyl)-1,3-thiazol-4-yl]-3,4-dihydro-1H-quinolin-2-one
CID 95475662
6-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-yl]-3,4-dihydro-1H-quinolin-2-one
CID 9343816
2-(4-phenylphenyl)-1,3-thiazole-4-carbonitrile
CID 116889919
7-fluoro-6-[2-(4-methylphenyl)-1,3-thiazol-4-yl]-3,4-dihydro-1H-quinolin-2-one
CID 60529111
6-[2-(2-methylpropylamino)-1,3-thiazol-4-yl]-3,4-dihydro-1H-quinolin-2-one
CID 9343342
(E)-3-(furan-2-yl)-2-[4-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-1,3-thiazol-2-yl]prop-2-enenitrile
CID 9344140
6-[2-(4-hydroxyanilino)-1,3-thiazol-4-yl]-3,4-dihydro-1H-quinolin-2-one
CID 58910717
5-[2-(4-hydroxyphenyl)-1,3-thiazol-4-yl]-1,3-dihydroindol-2-one
CID 135570014
6-(4-phenoxyphenyl)-3,4-dihydro-1H-quinolin-2-one
CID 68591635

Frequently Asked Questions

What is the IUPAC name of 2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-1,3-thiazole-4-carbonitrile?
The IUPAC name of 2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-1,3-thiazole-4-carbonitrile (CID 116889922) is 2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-1,3-thiazole-4-carbonitrile.
What is the SMILES notation for 2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-1,3-thiazole-4-carbonitrile?
The canonical SMILES for 2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-1,3-thiazole-4-carbonitrile is N#Cc1csc(-c2ccc3c(c2)CCC(=O)N3)n1.
What is the InChIKey of 2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-1,3-thiazole-4-carbonitrile?
The InChIKey is WKJCWIGMHWMYRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9N3OS/c14-6-10-7-18-13(15-10)9-1-3-11-8(5-9)2-4-12(17)16-11/h1,3,5,7H,2,4H2,(H,16,17).
What are the key properties of 2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-1,3-thiazole-4-carbonitrile?
2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-1,3-thiazole-4-carbonitrile has a molecular weight of 255.30 g/mol, XLogP of 2.57, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-1,3-thiazole-4-carbonitrile is sourced from PubChem (CID 116889922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).