(E)-4-oxo-4-[(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)amino]but-2-enoate

Formula:C10H6N3O3S2 Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-4-oxo-4-[(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)amino]but-2-enoate is a drug-like molecule.

MolName	(E)-4-oxo-4-[(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)amino]but-2-enoate
MolecularFormula	C10H6N3O3S2
Smiles	[O-]C(/C=C/C(Nc1nnc(-c2cccs2)s1)=O)=O
InChI	InChI=1S/C10H7N3O3S2/c14-7(3-4-8(15)16)11-10-13-12-9(18-10)6-2-1-5-17-6/h1-5H,(H,15,16)(H,11,13,14)/p-1
InChIK	UHEDTYLBEMACBT-UHFFFAOYSA-M
TotalMolweight	280.308
Molweight	280.308
MonoisotopicMass	279.985057
CLogP	-0.6409
CLogS	-2.17
H Acceptors	6
H Donors	1
TotalSurfaceArea	203.41
Relative PSA	0.5628
PolarSurfaceArea	151.49
Druglikeness	3.4263
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.66667
Fragments	1
Non HAtoms	18
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	4
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	10
Sp3Atoms	1
Amides	1
Aromatic Nitrogens	2
AcidicOxygens	1
StereoCon

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1 - (E)-4-oxo-4-[(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)amino]but-2-enoate | 2 - (E)-4-oxo-4-[(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)amino]but-2-enoate

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