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C16H13N3O2S2 | Cheminformatics
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4-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(Z)-thiophen-2-ylmethylideneamino]-1,3-thiazol-2-amine

Molecular 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 :

Click to Load Molecule:
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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