(E)-3-(furan-2-yl)-N-[(6-morpholin-4-yl-1,3-benzothiazol-2-yl)carbamothioyl]prop-2-enamide

Formula:C19H18N4O3S2 Mutagenic:high Tumorigenic:none Reproductive Effective:high (E)-3-(furan-2-yl)-N-[(6-morpholin-4-yl-1,3-benzothiazol-2-yl)carbamothioyl]prop-2-enamide is a drug-like molecule.

MolName	(E)-3-(furan-2-yl)-N-[(6-morpholin-4-yl-1,3-benzothiazol-2-yl)carbamothioyl]prop-2-enamide
MolecularFormula	C19H18N4O3S2
Smiles	O=C(/C=C/c1ccco1)NC(Nc1nc(ccc(N2CCOCC2)c2)c2s1)=S
InChI	InChI=1S/C19H18N4O3S2/c24-17(6-4-14-2-1-9-26-14)21-18(27)22-19-20-15-5-3-13(12-16(15)28-19)23-7-10-25-11-8-23/h1-6,9,12H,7-8,10-11H2,(H2,20,21,22,24,27)
InChIK	BOFNDGFXMYNHNG-UHFFFAOYSA-N
TotalMolweight	414.509
Molweight	414.509
MonoisotopicMass	414.082031
CLogP	2.9788
CLogS	-4.795
H Acceptors	7
H Donors	2
TotalSurfaceArea	313.73
Relative PSA	0.3919
PolarSurfaceArea	139.96
Druglikeness	1.4535
Mutagenic	high
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions	thio-amide/urea
Shape Index	0.64286
Fragments	1
Non HAtoms	28
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	4
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	14
Sp3Atoms	6
Symmetricatoms	2
Amides	1
Amines	1
Aromatic Amines	1
Aromatic Nitrogens	1
StereoCon

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