N-[5-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-1,3,4-thiadiazol-2-yl]furan-2-carboxamide

Formula:C16H11N3O4S Mutagenic:none Tumorigenic:none Reproductive Effective:high N-[5-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-1,3,4-thiadiazol-2-yl]furan-2-carboxamide is a drug-like molecule.

MolName	N-[5-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-1,3,4-thiadiazol-2-yl]furan-2-carboxamide
MolecularFormula	C16H11N3O4S
Smiles	O=C(c1ccco1)Nc1nnc(/C=C/c(cc2)cc3c2OCO3)s1
InChI	InChI=1S/C16H11N3O4S/c20-15(12-2-1-7-21-12)17-16-19-18-14(24-16)6-4-10-3-5-11-13(8-10)23-9-22-11/h1-8H,9H2,(H,17,19,20)
InChIK	UDTDWFLTMPQVIX-UHFFFAOYSA-N
TotalMolweight	341.346
Molweight	341.346
MonoisotopicMass	341.047027
CLogP	3.1572
CLogS	-4.864
H Acceptors	7
H Donors	1
TotalSurfaceArea	251.9
Relative PSA	0.4006
PolarSurfaceArea	114.72
Druglikeness	4.0597
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions
Shape Index	0.625
Fragments	1
Non HAtoms	24
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	4
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	16
Sp3Atoms	3
Amides	1
Aromatic Nitrogens	2
StereoCon

Click to Load Molecule:

1 - N-[5-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-1,3,4-thiadiazol-2-yl]furan-2-carboxamide | 2 - N-[5-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-1,3,4-thiadiazol-2-yl]furan-2-carboxamide

Request More Details | N-[5-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-1,3,4-thiadiazol-2-yl]furan-2-carboxamide

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments