N-[(Z)-(3-nitrophenyl)methylideneamino]-4-thiophen-2-yl-1,3-thiazol-2-amine

Formula:C14H10N4O2S2 Mutagenic:high Tumorigenic:high Reproductive Effective:none N-[(Z)-(3-nitrophenyl)methylideneamino]-4-thiophen-2-yl-1,3-thiazol-2-amine is not a drug-like molecule.

MolName	N-[(Z)-(3-nitrophenyl)methylideneamino]-4-thiophen-2-yl-1,3-thiazol-2-amine
MolecularFormula	C14H10N4O2S2
Smiles	[O-][N+](c1cccc(/C=N\Nc2nc(-c3cccs3)cs2)c1)=O
InChI	InChI=1S/C14H10N4O2S2/c19-18(20)11-4-1-3-10(7-11)8-15-17-14-16-12(9-22-14)13-5-2-6-21-13/h1-9H,(H,16,17)
InChIK	HJNHTRNCEIPGAM-UHFFFAOYSA-N
TotalMolweight	330.391
Molweight	330.391
MonoisotopicMass	330.024516
CLogP	5.1479
CLogS	-5.041
H Acceptors	6
H Donors	1
TotalSurfaceArea	243.31
Relative PSA	0.43188
PolarSurfaceArea	139.58
Druglikeness	0.3038
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro; imine/hydrazone of aldehyde
Shape Index	0.63636
Fragments	1
Non HAtoms	22
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	5
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	16
Sp3Atoms	1
Aromatic Nitrogens	1
BasicNitrogens	1
AcidicOxygens	1
StereoCon

Click to Load Molecule:

1 - N-[(Z)-(3-nitrophenyl)methylideneamino]-4-thiophen-2-yl-1,3-thiazol-2-amine | 2 - N-[(Z)-(3-nitrophenyl)methylideneamino]-4-thiophen-2-yl-1,3-thiazol-2-amine

Request More Details | N-[(Z)-(3-nitrophenyl)methylideneamino]-4-thiophen-2-yl-1,3-thiazol-2-amine

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments