2-(5-amino-1,3,4-thiadiazol-2-yl)-N-[(Z)-[5-(2-chloro-4-nitrophenyl)furan-2-yl]methylideneamino]acetamide

Formula:C15H11N6O4ClS Mutagenic:high Tumorigenic:high Reproductive Effective:none 2-(5-amino-1,3,4-thiadiazol-2-yl)-N-[(Z)-[5-(2-chloro-4-nitrophenyl)furan-2-yl]methylideneamino]acetamide is a drug-like molecule.

MolName	2-(5-amino-1,3,4-thiadiazol-2-yl)-N-[(Z)-[5-(2-chloro-4-nitrophenyl)furan-2-yl]methylideneamino]acetamide
MolecularFormula	C15H11N6O4ClS
Smiles	Nc1nnc(CC(N/N=C\c2ccc(-c(ccc([N+]([O-])=O)c3)c3Cl)o2)=O)s1
InChI	InChI=1S/C15H11ClN6O4S/c16-11-5-8(22(24)25)1-3-10(11)12-4-2-9(26-12)7-18-19-13(23)6-14-20-21-15(17)27-14/h1-5,7H,6H2,(H2,17,21)(H,19,23)
InChIK	BYDQDQRUZNWMJW-UHFFFAOYSA-N
TotalMolweight	406.809
Molweight	406.809
MonoisotopicMass	406.025101
CLogP	1.9887
CLogS	-5.625
H Acceptors	10
H Donors	2
TotalSurfaceArea	291.27
Relative PSA	0.47416
PolarSurfaceArea	180.46
Druglikeness	2.7514
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.66667
Fragments	1
Non HAtoms	27
NonCHAtoms	12
Electronegative Atoms	12
Rotatable Bond	6
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	16
Sp3Atoms	2
Aromatic Nitrogens	2
AcidicOxygens	1
StereoCon

Click to Load Molecule:

1 - 2-(5-amino-1,3,4-thiadiazol-2-yl)-N-[(Z)-[5-(2-chloro-4-nitrophenyl)furan-2-yl]methylideneamino]acetamide | 2 - 2-(5-amino-1,3,4-thiadiazol-2-yl)-N-[(Z)-[5-(2-chloro-4-nitrophenyl)furan-2-yl]methylideneamino]acetamide

Request More Details | 2-(5-amino-1,3,4-thiadiazol-2-yl)-N-[(Z)-[5-(2-chloro-4-nitrophenyl)furan-2-yl]methylideneamino]acetamide

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments