N-[(Z)-[2-oxo-4-[4-(1H-pyridin-4-ylidene)pyridin-1-yl]-1,3-thiazol-5-ylidene]methyl]iminobenzamide

Formula:C21H15N5O2S Mutagenic:low Tumorigenic:high Reproductive Effective:high N-[(Z)-[2-oxo-4-[4-(1H-pyridin-4-ylidene)pyridin-1-yl]-1,3-thiazol-5-ylidene]methyl]iminobenzamide is a drug-like molecule.

MolName	N-[(Z)-[2-oxo-4-[4-(1H-pyridin-4-ylidene)pyridin-1-yl]-1,3-thiazol-5-ylidene]methyl]iminobenzamide
MolecularFormula	C21H15N5O2S
Smiles	O=C(c1ccccc1)/N=N/C=C(/C(N(C=C1)C=CC1=C1C=CNC=C1)=N1)\SC1=O
InChI	InChI=1S/C21H15N5O2S/c27-20(17-4-2-1-3-5-17)25-23-14-18-19(24-21(28)29-18)26-12-8-16(9-13-26)15-6-10-22-11-7-15/h1-14,22H
InChIK	GRYAHISAUSLYBZ-UHFFFAOYSA-N
TotalMolweight	401.449
Molweight	401.449
MonoisotopicMass	401.094645
CLogP	1.1673
CLogS	-5.064
H Acceptors	7
H Donors	1
TotalSurfaceArea	307.13
Relative PSA	0.30316
PolarSurfaceArea	111.79
Druglikeness	-3.6015
Mutagenic	low
Tumorigenic	high
Reproductive Effective	high
Irritant	none
Nasty Functions	azo
Shape Index	0.62069
Fragments	1
Non HAtoms	29
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	2
Rings Closures	4
Small Rings	4
Aromatic Rings	1
Aromatic Atoms	6
Sp3Atoms	2
Symmetricatoms	6
BasicNitrogens	2
StereoCon

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1 - N-[(Z)-[2-oxo-4-[4-(1H-pyridin-4-ylidene)pyridin-1-yl]-1,3-thiazol-5-ylidene]methyl]iminobenzamide | 2 - N-[(Z)-[2-oxo-4-[4-(1H-pyridin-4-ylidene)pyridin-1-yl]-1,3-thiazol-5-ylidene]methyl]iminobenzamide

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