N-[(Z)-[2-(4-chlorophenyl)-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazol-1-yl]methylideneamino]thiophene-2-carboxamide

Formula:C21H17N4OClS2 Mutagenic:none Tumorigenic:none Reproductive Effective:none N-[(Z)-[2-(4-chlorophenyl)-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazol-1-yl]methylideneamino]thiophene-2-carboxamide is not a drug-like molecule.

MolName	N-[(Z)-[2-(4-chlorophenyl)-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazol-1-yl]methylideneamino]thiophene-2-carboxamide
MolecularFormula	C21H17N4OClS2
Smiles	O=C(c1cccs1)N/N=C\c1c(-c(cc2)ccc2Cl)nc2sc(CCCC3)c3n12
InChI	InChI=1S/C21H17ClN4OS2/c22-14-9-7-13(8-10-14)19-16(12-23-25-20(27)18-6-3-11-28-18)26-15-4-1-2-5-17(15)29-21(26)24-19/h3,6-12H,1-2,4-5H2,(H,25,27)
InChIK	QZNGJYWEVTXORM-UHFFFAOYSA-N
TotalMolweight	440.978
Molweight	440.978
MonoisotopicMass	440.053228
CLogP	5.8446
CLogS	-6.246
H Acceptors	5
H Donors	1
TotalSurfaceArea	319.6
Relative PSA	0.29928
PolarSurfaceArea	115.24
Druglikeness	1.918
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.48276
Fragments	1
Non HAtoms	29
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	4
Rings Closures	5
Small Rings	5
Aromatic Rings	4
Aromatic Atoms	19
Sp3Atoms	4
Symmetricatoms	2
Aromatic Nitrogens	2
StereoCon

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1 - N-[(Z)-[2-(4-chlorophenyl)-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazol-1-yl]methylideneamino]thiophene-2-carboxamide | 2 - N-[(Z)-[2-(4-chlorophenyl)-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazol-1-yl]methylideneamino]thiophene-2-carboxamide

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