[2-(naphthalen-1-ylamino)-1,3-thiazol-4-yl]-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone

Formula:C27H26N4OS Mutagenic:high Tumorigenic:high Reproductive Effective:none [2-(naphthalen-1-ylamino)-1,3-thiazol-4-yl]-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone is not a drug-like molecule.

MolName	[2-(naphthalen-1-ylamino)-1,3-thiazol-4-yl]-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone
MolecularFormula	C27H26N4OS
Smiles	O=C(c1csc(Nc2cccc3ccccc23)n1)N1CCN(C/C=C/c2ccccc2)CC1
InChI	InChI=1S/C27H26N4OS/c32-26(31-18-16-30(17-19-31)15-7-10-21-8-2-1-3-9-21)25-20-33-27(29-25)28-24-14-6-12-22-11-4-5-13-23(22)24/h1-14,20H,15-19H2,(H,28,29)
InChIK	NDRYRSXFHNXWEU-UHFFFAOYSA-N
TotalMolweight	454.596
Molweight	454.596
MonoisotopicMass	454.182731
CLogP	6.0267
CLogS	-5.609
H Acceptors	5
H Donors	1
TotalSurfaceArea	353.69
Relative PSA	0.17792
PolarSurfaceArea	76.71
Druglikeness	9.6197
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	limit! thiazol-2-ylamine
Shape Index	0.63636
Fragments	1
Non HAtoms	33
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	6
Rings Closures	5
Small Rings	5
Aromatic Rings	4
Aromatic Atoms	21
Sp3Atoms	6
Symmetricatoms	4
Amides	1
Amines	1
AlkylAmines	1
Aromatic Nitrogens	1
BasicNitrogens	2
StereoCon

Click to Load Molecule:

1 - [2-(naphthalen-1-ylamino)-1,3-thiazol-4-yl]-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone | 2 - [2-(naphthalen-1-ylamino)-1,3-thiazol-4-yl]-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone

Request More Details | [2-(naphthalen-1-ylamino)-1,3-thiazol-4-yl]-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments