(2Z)-5-amino-2-[(2-chloro-6-fluorophenyl)methylidene]-6-cyano-7-(2,6-dichlorophenyl)-3-oxo-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxamide

Formula:C22H12N4O2Cl3FS Mutagenic:none Tumorigenic:none Reproductive Effective:high (2Z)-5-amino-2-[(2-chloro-6-fluorophenyl)methylidene]-6-cyano-7-(2,6-dichlorophenyl)-3-oxo-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxamide is not a drug-like molecule.

MolName	(2Z)-5-amino-2-[(2-chloro-6-fluorophenyl)methylidene]-6-cyano-7-(2,6-dichlorophenyl)-3-oxo-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxamide
MolecularFormula	C22H12N4O2Cl3FS
Smiles	NC(C(C(c(c(Cl)ccc1)c1Cl)C(C#N)=C(N)N1C2=O)=C1S/C2=C\c(c(F)ccc1)c1Cl)=O
InChI	InChI=1S/C22H12Cl3FN4O2S/c23-11-3-2-6-14(26)9(11)7-15-21(32)30-19(28)10(8-27)16(18(20(29)31)22(30)33-15)17-12(24)4-1-5-13(17)25/h1-7,16H,28H2,(H2,29,31)/t16-/m0/s1
InChIK	CGOCXDVHOBAEPV-INIZCTEOSA-N
TotalMolweight	521.786
Molweight	521.786
MonoisotopicMass	519.973055
CLogP	4.7021
CLogS	-8.601
H Acceptors	6
H Donors	2
TotalSurfaceArea	343.72
Relative PSA	0.26539
PolarSurfaceArea	138.51
Druglikeness	-0.71614
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions	polar activated DB
Shape Index	0.42424
Fragments	1
Non HAtoms	33
NonCHAtoms	11
Electronegative Atoms	11
StereoCenters	1
Rotatable Bond	3
Rings Closures	4
Small Rings	4
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	2
Symmetricatoms	3
Amides	2
BasicNitrogens	1
StereoCon	racemate

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1 - (2Z)-5-amino-2-[(2-chloro-6-fluorophenyl)methylidene]-6-cyano-7-(2,6-dichlorophenyl)-3-oxo-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxamide | 2 - (2Z)-5-amino-2-[(2-chloro-6-fluorophenyl)methylidene]-6-cyano-7-(2,6-dichlorophenyl)-3-oxo-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxamide

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