2-[(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(Z)-thiophen-2-ylmethylideneamino]acetamide

Formula:C16H14N4OS4 Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-[(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(Z)-thiophen-2-ylmethylideneamino]acetamide is a drug-like molecule.

MolName	2-[(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(Z)-thiophen-2-ylmethylideneamino]acetamide
MolecularFormula	C16H14N4OS4
Smiles	O=C(CSc1nnc(SCc2ccccc2)s1)N/N=C\c1cccs1
InChI	InChI=1S/C16H14N4OS4/c21-14(18-17-9-13-7-4-8-22-13)11-24-16-20-19-15(25-16)23-10-12-5-2-1-3-6-12/h1-9H,10-11H2,(H,18,21)
InChIK	HCVPOOOZHSNVOR-UHFFFAOYSA-N
TotalMolweight	406.578
Molweight	406.578
MonoisotopicMass	406.005041
CLogP	4.2796
CLogS	-6.35
H Acceptors	5
H Donors	1
TotalSurfaceArea	298.65
Relative PSA	0.44751
PolarSurfaceArea	174.32
Druglikeness	6.4167
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.72
Fragments	1
Non HAtoms	25
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	8
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	16
Sp3Atoms	4
Symmetricatoms	2
Aromatic Nitrogens	2
StereoCon

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1 - 2-[(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(Z)-thiophen-2-ylmethylideneamino]acetamide | 2 - 2-[(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(Z)-thiophen-2-ylmethylideneamino]acetamide

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