3-[4-[(5E)-4-oxo-5-[(5-phenyl-1H-pyrazol-4-yl)methylidene]-1,3-thiazol-2-yl]piperazin-1-yl]propanenitrile

Formula:C20H20N6OS Mutagenic:none Tumorigenic:none Reproductive Effective:none 3-[4-[(5E)-4-oxo-5-[(5-phenyl-1H-pyrazol-4-yl)methylidene]-1,3-thiazol-2-yl]piperazin-1-yl]propanenitrile is a drug-like molecule.

MolName	3-[4-[(5E)-4-oxo-5-[(5-phenyl-1H-pyrazol-4-yl)methylidene]-1,3-thiazol-2-yl]piperazin-1-yl]propanenitrile
MolecularFormula	C20H20N6OS
Smiles	N#CCCN(CC1)CCN1C(S/C1=C/c2c(-c3ccccc3)[nH]nc2)=NC1=O
InChI	InChI=1S/C20H20N6OS/c21-7-4-8-25-9-11-26(12-10-25)20-23-19(27)17(28-20)13-16-14-22-24-18(16)15-5-2-1-3-6-15/h1-3,5-6,13-14H,4,8-12H2,(H,22,24)
InChIK	QXOVMEOSTNZJON-UHFFFAOYSA-N
TotalMolweight	392.486
Molweight	392.486
MonoisotopicMass	392.141929
CLogP	1.4445
CLogS	-3.481
H Acceptors	7
H Donors	1
TotalSurfaceArea	302.14
Relative PSA	0.29013
PolarSurfaceArea	113.68
Druglikeness	3.0402
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.64286
Fragments	1
Non HAtoms	28
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	4
Rings Closures	4
Small Rings	4
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	8
Symmetricatoms	4
Amines	1
AlkylAmines	1
Aromatic Nitrogens	2
BasicNitrogens	2
StereoCon

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