N-[[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]carbamothioyl]naphthalene-2-carboxamide

Formula:C23H19N3O3S2 Mutagenic:none Tumorigenic:none Reproductive Effective:high N-[[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]carbamothioyl]naphthalene-2-carboxamide is not a drug-like molecule.

MolName	N-[[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]carbamothioyl]naphthalene-2-carboxamide
MolecularFormula	C23H19N3O3S2
Smiles	COc(ccc(-c1csc(NC(NC(c2cc3ccccc3cc2)=O)=S)n1)c1)c1OC
InChI	InChI=1S/C23H19N3O3S2/c1-28-19-10-9-16(12-20(19)29-2)18-13-31-23(24-18)26-22(30)25-21(27)17-8-7-14-5-3-4-6-15(14)11-17/h3-13H,1-2H3,(H2,24,25,26,27,30)
InChIK	AXJYLSQUZFQZJK-UHFFFAOYSA-N
TotalMolweight	449.554
Molweight	449.554
MonoisotopicMass	449.086782
CLogP	5.4194
CLogS	-6.826
H Acceptors	6
H Donors	2
TotalSurfaceArea	339.98
Relative PSA	0.33911
PolarSurfaceArea	132.81
Druglikeness	2.525
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions	limit! thiazol-2-ylamine; thio-amide/urea
Shape Index	0.6129
Fragments	1
Non HAtoms	31
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	5
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	21
Sp3Atoms	5
Amides	1
Aromatic Nitrogens	1
StereoCon

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