N-(3,4-dimethylphenyl)-4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperazine-1-carbothioamide

Formula:C22H23N4FS2 Mutagenic:none Tumorigenic:high Reproductive Effective:none N-(3,4-dimethylphenyl)-4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperazine-1-carbothioamide is not a drug-like molecule.

MolName	N-(3,4-dimethylphenyl)-4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperazine-1-carbothioamide
MolecularFormula	C22H23N4FS2
Smiles	Cc(cc1)c(C)cc1NC(N(CC1)CCN1c1nc(-c(cc2)ccc2F)cs1)=S
InChI	InChI=1S/C22H23FN4S2/c1-15-3-8-19(13-16(15)2)24-21(28)26-9-11-27(12-10-26)22-25-20(14-29-22)17-4-6-18(23)7-5-17/h3-8,13-14H,9-12H2,1-2H3,(H,24,28)
InChIK	LZMVTUDSMHHFPB-UHFFFAOYSA-N
TotalMolweight	426.583
Molweight	426.583
MonoisotopicMass	426.134814
CLogP	5.4932
CLogS	-5.786
H Acceptors	4
H Donors	1
TotalSurfaceArea	324.66
Relative PSA	0.23991
PolarSurfaceArea	91.73
Druglikeness	4.2885
Mutagenic	none
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	thio-amide/urea
Shape Index	0.65517
Fragments	1
Non HAtoms	29
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	3
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	7
Symmetricatoms	4
Aromatic Nitrogens	1
BasicNitrogens	1
StereoCon

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