(2E)-4-oxo-N-[(5-phenyl-1H-pyrazol-3-yl)amino]-1,3-thiazole-2-carboximidoyl cyanide

Formula:C14H10N6OS Mutagenic:none Tumorigenic:none Reproductive Effective:none (2E)-4-oxo-N-[(5-phenyl-1H-pyrazol-3-yl)amino]-1,3-thiazole-2-carboximidoyl cyanide is a drug-like molecule.

MolName	(2E)-4-oxo-N-[(5-phenyl-1H-pyrazol-3-yl)amino]-1,3-thiazole-2-carboximidoyl cyanide
MolecularFormula	C14H10N6OS
Smiles	N#C/C(/C(SC1)=NC1=O)=N\Nc1n[nH]c(-c2ccccc2)c1
InChI	InChI=1S/C14H10N6OS/c15-7-11(14-16-13(21)8-22-14)18-20-12-6-10(17-19-12)9-4-2-1-3-5-9/h1-6H,8H2,(H2,17,19,20)
InChIK	IRUZRAGKUFQISC-UHFFFAOYSA-N
TotalMolweight	310.34
Molweight	310.34
MonoisotopicMass	310.063679
CLogP	1.3937
CLogS	-2.78
H Acceptors	7
H Donors	2
TotalSurfaceArea	235.96
Relative PSA	0.43876
PolarSurfaceArea	131.59
Druglikeness	-0.43376
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.63636
Fragments	1
Non HAtoms	22
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	4
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	2
Symmetricatoms	2
Aromatic Nitrogens	2
BasicNitrogens	1
StereoCon

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