2-(3-cyanoquinolin-2-yl)sulfanyl-N-(4-phenyl-1,3-thiazol-2-yl)acetamide

Formula:C21H14N4OS2 Mutagenic:high Tumorigenic:none Reproductive Effective:none 2-(3-cyanoquinolin-2-yl)sulfanyl-N-(4-phenyl-1,3-thiazol-2-yl)acetamide is a drug-like molecule.

MolName	2-(3-cyanoquinolin-2-yl)sulfanyl-N-(4-phenyl-1,3-thiazol-2-yl)acetamide
MolecularFormula	C21H14N4OS2
Smiles	N#Cc1cc2ccccc2nc1SCC(Nc1nc(-c2ccccc2)cs1)=O
InChI	InChI=1S/C21H14N4OS2/c22-11-16-10-15-8-4-5-9-17(15)23-20(16)27-13-19(26)25-21-24-18(12-28-21)14-6-2-1-3-7-14/h1-10,12H,13H2,(H,24,25,26)
InChIK	QADGXDFBRHQNKY-UHFFFAOYSA-N
TotalMolweight	402.501
Molweight	402.501
MonoisotopicMass	402.060901
CLogP	4.6444
CLogS	-6.423
H Acceptors	5
H Donors	1
TotalSurfaceArea	303.01
Relative PSA	0.32293
PolarSurfaceArea	132.21
Druglikeness	-1.4215
Mutagenic	high
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	limit! thiazol-2-ylamine
Shape Index	0.60714
Fragments	1
Non HAtoms	28
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	5
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	21
Sp3Atoms	2
Symmetricatoms	2
Amides	1
Aromatic Nitrogens	2
StereoCon

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