[(E)-[1-amino-2-[4-(thiadiazol-4-yl)phenyl]ethylidene]amino] thiophene-2-carboxylate

Formula:C15H12N4O2S2 Mutagenic:high Tumorigenic:none Reproductive Effective:none [(E)-[1-amino-2-[4-(thiadiazol-4-yl)phenyl]ethylidene]amino] thiophene-2-carboxylate is a drug-like molecule.

MolName	[(E)-[1-amino-2-[4-(thiadiazol-4-yl)phenyl]ethylidene]amino] thiophene-2-carboxylate
MolecularFormula	C15H12N4O2S2
Smiles	N/C(/Cc(cc1)ccc1-c1csnn1)=N/OC(c1cccs1)=O
InChI	InChI=1S/C15H12N4O2S2/c16-14(18-21-15(20)13-2-1-7-22-13)8-10-3-5-11(6-4-10)12-9-23-19-17-12/h1-7,9H,8H2,(H2,16,18)
InChIK	TVIFPTIGKOPOCF-UHFFFAOYSA-N
TotalMolweight	344.418
Molweight	344.418
MonoisotopicMass	344.040166
CLogP	3.6178
CLogS	-4.926
H Acceptors	6
H Donors	1
TotalSurfaceArea	255.18
Relative PSA	0.44079
PolarSurfaceArea	146.94
Druglikeness	-3.8915
Mutagenic	high
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.65217
Fragments	1
Non HAtoms	23
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	6
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	16
Sp3Atoms	2
Symmetricatoms	2
Aromatic Nitrogens	2
StereoCon

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1 - [(E)-[1-amino-2-[4-(thiadiazol-4-yl)phenyl]ethylidene]amino] thiophene-2-carboxylate | 2 - [(E)-[1-amino-2-[4-(thiadiazol-4-yl)phenyl]ethylidene]amino] thiophene-2-carboxylate

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