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C14H8N4OClF3S | Cheminformatics
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N-[(Z)-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]-4-(trifluoromethyl)benzamide

Molecular Formula : C14H8N4OClF3S | Mutagenic : none | Tumorigenic : none | Reproductive Effective : none |
N-[(Z)-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]-4-(trifluoromethyl)benzamide is a drug-like molecule.

MolName : N-[(Z)-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]-4-(trifluoromethyl)benzamide

MolecularFormula : C14H8N4OClF3S

Smiles : O=C(c1ccc(C(F)(F)F)cc1)N/N=C\c(n(ccs1)c1n1)c1Cl

InChI : InChI=1S/C14H8ClF3N4OS/c15-11-10(22-5-6-24-13(22)20-11)7-19-21-12(23)8-1-3-9(4-2-8)14(16,17)18/h1-7H,(H,21,23)

InChIK : CMXHPFTWLPTILK-UHFFFAOYSA-N

TotalMolweight : 372.758

Molweight : 372.758

MonoisotopicMass : 372.005942

CLogP : 3.8805

CLogS : -3.773

H Acceptors : 5

H Donors : 1

TotalSurfaceArea : 251.82

Relative PSA : 0.29898

PolarSurfaceArea : 87

Druglikeness : -1.57

Mutagenic : none

Tumorigenic : none

Reproductive Effective : none

Irritant : none

Nasty Functions : acyl-hydrazone; imine/hydrazone of aldehyde

Shape Index : 0.58333

Fragments : 1

Non HAtoms : 24

NonCHAtoms : 10

Electronegative Atoms : 10

Rotatable Bond : 4

Rings Closures : 3

Small Rings : 3

Aromatic Rings : 3

Aromatic Atoms : 14

Sp3Atoms : 1

Symmetricatoms : 4

Aromatic Nitrogens : 2

StereoCon :

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1 - N-[(Z)-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]-4-(trifluoromethyl)benzamide
2 - N-[(Z)-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]-4-(trifluoromethyl)benzamide
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