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C18H14N2O3S2 | Cheminformatics
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(E)-N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]-3-thiophen-2-ylprop-2-enamide

Molecular Formula : C18H14N2O3S2 | Mutagenic : none | Tumorigenic : none | Reproductive Effective : none |
(E)-N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]-3-thiophen-2-ylprop-2-enamide is a drug-like molecule.

MolName : (E)-N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]-3-thiophen-2-ylprop-2-enamide

MolecularFormula : C18H14N2O3S2

Smiles : O=C(/C=C/c1cccs1)Nc1nc(-c(cc2)cc3c2OCCO3)cs1

InChI : InChI=1S/C18H14N2O3S2/c21-17(6-4-13-2-1-9-24-13)20-18-19-14(11-25-18)12-3-5-15-16(10-12)23-8-7-22-15/h1-6,9-11H,7-8H2,(H,19,20,21)

InChIK : RNYBKXCNJWBXQR-UHFFFAOYSA-N

TotalMolweight : 370.452

Molweight : 370.452

MonoisotopicMass : 370.044583

CLogP : 4.3572

CLogS : -5.201

H Acceptors : 5

H Donors : 1

TotalSurfaceArea : 273.15

Relative PSA : 0.35215

PolarSurfaceArea : 116.93

Druglikeness : -4.3216

Mutagenic : none

Tumorigenic : none

Reproductive Effective : none

Irritant : none

Nasty Functions : limit! thiazol-2-ylamine

Shape Index : 0.64

Fragments : 1

Non HAtoms : 25

NonCHAtoms : 7

Electronegative Atoms : 7

Rotatable Bond : 4

Rings Closures : 4

Small Rings : 4

Aromatic Rings : 3

Aromatic Atoms : 16

Sp3Atoms : 4

Amides : 1

Aromatic Nitrogens : 1

StereoCon :

Click to Load Molecule:
1 - (E)-N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]-3-thiophen-2-ylprop-2-enamide
2 - (E)-N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]-3-thiophen-2-ylprop-2-enamide
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