3-fluoro-5-[2-(5-oxo-7,8-dihydro-6H-quinolin-2-yl)-1,3-thiazol-5-yl]benzonitrile

C19H12FN3OS — CID 11450921

IUPAC3-fluoro-5-[2-(5-oxo-7,8-dihydro-6H-quinolin-2-yl)-1,3-thiazol-5-yl]benzonitrile
SMILESN#Cc1cc(F)cc(-c2cnc(-c3ccc4c(n3)CCCC4=O)s2)c1
InChIInChI=1S/C19H12FN3OS/c20-13-7-11(9-21)6-12(8-13)18-10-22-19(25-18)16-5-4-14-15(23-16)2-1-3-17(14)24/h4-8,10H,1-3H2
InChIKeyVNHMRZVGHSDCIC-UHFFFAOYSA-N
MW349.39 g/mol
LogP4.40
Rot. Bonds2

About 3-fluoro-5-[2-(5-oxo-7,8-dihydro-6H-quinolin-2-yl)-1,3-thiazol-5-yl]benzonitrile

3-fluoro-5-[2-(5-oxo-7,8-dihydro-6H-quinolin-2-yl)-1,3-thiazol-5-yl]benzonitrile (PubChem CID 11450921) has the molecular formula C19H12FN3OS and a molecular weight of 349.39 g/mol. Its IUPAC name is 3-fluoro-5-[2-(5-oxo-7,8-dihydro-6H-quinolin-2-yl)-1,3-thiazol-5-yl]benzonitrile.

Molecular Properties

Compound Name3-fluoro-5-[2-(5-oxo-7,8-dihydro-6H-quinolin-2-yl)-1,3-thiazol-5-yl]benzonitrile
PubChem CID11450921
Molecular FormulaC19H12FN3OS
Molecular Weight349.39 g/mol
Exact Mass349.07
IUPAC Name3-fluoro-5-[2-(5-oxo-7,8-dihydro-6H-quinolin-2-yl)-1,3-thiazol-5-yl]benzonitrile
SMILESN#Cc1cc(F)cc(-c2cnc(-c3ccc4c(n3)CCCC4=O)s2)c1
InChIInChI=1S/C19H12FN3OS/c20-13-7-11(9-21)6-12(8-13)18-10-22-19(25-18)16-5-4-14-15(23-16)2-1-3-17(14)24/h4-8,10H,1-3H2
InChIKeyVNHMRZVGHSDCIC-UHFFFAOYSA-N
XLogP4.40
TPSA66.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-fluoro-5-[2-(5-oxo-7,8-dihydro-6H-quinolin-2-yl)-1,3-thiazol-5-yl]benzonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-5-[2-(5-oxo-7,8-dihydro-6H-quinolin-2-yl)-1,3-thiazol-5-yl]benzonitrile?
The IUPAC name of 3-fluoro-5-[2-(5-oxo-7,8-dihydro-6H-quinolin-2-yl)-1,3-thiazol-5-yl]benzonitrile (CID 11450921) is 3-fluoro-5-[2-(5-oxo-7,8-dihydro-6H-quinolin-2-yl)-1,3-thiazol-5-yl]benzonitrile.
What is the SMILES notation for 3-fluoro-5-[2-(5-oxo-7,8-dihydro-6H-quinolin-2-yl)-1,3-thiazol-5-yl]benzonitrile?
The canonical SMILES for 3-fluoro-5-[2-(5-oxo-7,8-dihydro-6H-quinolin-2-yl)-1,3-thiazol-5-yl]benzonitrile is N#Cc1cc(F)cc(-c2cnc(-c3ccc4c(n3)CCCC4=O)s2)c1.
What is the InChIKey of 3-fluoro-5-[2-(5-oxo-7,8-dihydro-6H-quinolin-2-yl)-1,3-thiazol-5-yl]benzonitrile?
The InChIKey is VNHMRZVGHSDCIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12FN3OS/c20-13-7-11(9-21)6-12(8-13)18-10-22-19(25-18)16-5-4-14-15(23-16)2-1-3-17(14)24/h4-8,10H,1-3H2.
What are the key properties of 3-fluoro-5-[2-(5-oxo-7,8-dihydro-6H-quinolin-2-yl)-1,3-thiazol-5-yl]benzonitrile?
3-fluoro-5-[2-(5-oxo-7,8-dihydro-6H-quinolin-2-yl)-1,3-thiazol-5-yl]benzonitrile has a molecular weight of 349.39 g/mol, XLogP of 4.40, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-5-[2-(5-oxo-7,8-dihydro-6H-quinolin-2-yl)-1,3-thiazol-5-yl]benzonitrile is sourced from PubChem (CID 11450921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).