4-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(Z)-thiophen-2-ylmethylideneamino]-1,3-thiazol-2-amine

Formula:C16H13N3O2S2 Mutagenic:none Tumorigenic:high Reproductive Effective:none 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(Z)-thiophen-2-ylmethylideneamino]-1,3-thiazol-2-amine is not a drug-like molecule.

MolName	4-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(Z)-thiophen-2-ylmethylideneamino]-1,3-thiazol-2-amine
MolecularFormula	C16H13N3O2S2
Smiles	C1Oc(ccc(-c2csc(N/N=C\c3cccs3)n2)c2)c2OC1
InChI	InChI=1S/C16H13N3O2S2/c1-2-12(22-7-1)9-17-19-16-18-13(10-23-16)11-3-4-14-15(8-11)21-6-5-20-14/h1-4,7-10H,5-6H2,(H,18,19)
InChIK	TUOYZZFEIVXLFF-UHFFFAOYSA-N
TotalMolweight	343.43
Molweight	343.43
MonoisotopicMass	343.044917
CLogP	6.0618
CLogS	-4.852
H Acceptors	5
H Donors	1
TotalSurfaceArea	253.66
Relative PSA	0.37318
PolarSurfaceArea	112.22
Druglikeness	-2.0113
Mutagenic	none
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	imine/hydrazone of aldehyde
Shape Index	0.65217
Fragments	1
Non HAtoms	23
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	4
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	16
Sp3Atoms	4
Aromatic Nitrogens	1
BasicNitrogens	1
StereoCon

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1 - 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(Z)-thiophen-2-ylmethylideneamino]-1,3-thiazol-2-amine | 2 - 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(Z)-thiophen-2-ylmethylideneamino]-1,3-thiazol-2-amine

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