2-[5-[(2-chloroacetyl)amino]-1,3,4-thiadiazol-2-yl]-N-[(Z)-(4-chlorophenyl)methylideneamino]acetamide

Formula:C13H11N5O2Cl2S Mutagenic:high Tumorigenic:high Reproductive Effective:high 2-[5-[(2-chloroacetyl)amino]-1,3,4-thiadiazol-2-yl]-N-[(Z)-(4-chlorophenyl)methylideneamino]acetamide is a drug-like molecule.

MolName	2-[5-[(2-chloroacetyl)amino]-1,3,4-thiadiazol-2-yl]-N-[(Z)-(4-chlorophenyl)methylideneamino]acetamide
MolecularFormula	C13H11N5O2Cl2S
Smiles	O=C(Cc1nnc(NC(CCl)=O)s1)N/N=C\c(cc1)ccc1Cl
InChI	InChI=1S/C13H11Cl2N5O2S/c14-6-11(22)17-13-20-19-12(23-13)5-10(21)18-16-7-8-1-3-9(15)4-2-8/h1-4,7H,5-6H2,(H,18,21)(H,17,20,22)
InChIK	KKHHQRVUIDVLOD-UHFFFAOYSA-N
TotalMolweight	372.235
Molweight	372.235
MonoisotopicMass	371.001049
CLogP	2.5817
CLogS	-4.372
H Acceptors	7
H Donors	2
TotalSurfaceArea	268.02
Relative PSA	0.38359
PolarSurfaceArea	124.58
Druglikeness	6.3586
Mutagenic	high
Tumorigenic	high
Reproductive Effective	high
Irritant	none
Nasty Functions	acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.73913
Fragments	1
Non HAtoms	23
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	6
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	2
Symmetricatoms	2
Amides	1
Aromatic Nitrogens	2
StereoCon

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1 - 2-[5-[(2-chloroacetyl)amino]-1,3,4-thiadiazol-2-yl]-N-[(Z)-(4-chlorophenyl)methylideneamino]acetamide | 2 - 2-[5-[(2-chloroacetyl)amino]-1,3,4-thiadiazol-2-yl]-N-[(Z)-(4-chlorophenyl)methylideneamino]acetamide

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