3-[(Z)-benzylideneamino]-5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-imine

Formula:C12H13N3O2S2 Mutagenic:none Tumorigenic:none Reproductive Effective:none 3-[(Z)-benzylideneamino]-5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-imine is a drug-like molecule.

MolName	3-[(Z)-benzylideneamino]-5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-imine
MolecularFormula	C12H13N3O2S2
Smiles	N=C1SC(CS(C2)(=O)=O)C2N1/N=C\c1ccccc1
InChI	InChI=1S/C12H13N3O2S2/c13-12-15(14-6-9-4-2-1-3-5-9)10-7-19(16,17)8-11(10)18-12/h1-6,10-11,13H,7-8H2
InChIK	NLODYMFSRNMWAW-UHFFFAOYSA-N
TotalMolweight	295.386
Molweight	295.386
MonoisotopicMass	295.044917
CLogP	0.6498
CLogS	-2.282
H Acceptors	5
H Donors	1
TotalSurfaceArea	200.22
Relative PSA	0.38323
PolarSurfaceArea	107.27
Druglikeness	2.0487
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	imine/hydrazone of aldehyde
Shape Index	0.57895
Fragments	1
Non HAtoms	19
NonCHAtoms	7
Electronegative Atoms	7
StereoCenters	2
Rotatable Bond	2
Rings Closures	3
Small Rings	3
Aromatic Rings	1
Aromatic Atoms	6
Sp3Atoms	6
Symmetricatoms	3
BasicNitrogens	1
StereoCon	unknown chirality

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1 - 3-[(Z)-benzylideneamino]-5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-imine | 2 - 3-[(Z)-benzylideneamino]-5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-imine

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