2-[(5Z)-4-oxo-5-[(2-pyrazol-1-ylphenyl)methylidene]-1,3-thiazol-2-yl]guanidine

Formula:C14H12N6OS Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-[(5Z)-4-oxo-5-[(2-pyrazol-1-ylphenyl)methylidene]-1,3-thiazol-2-yl]guanidine is a drug-like molecule.

MolName	2-[(5Z)-4-oxo-5-[(2-pyrazol-1-ylphenyl)methylidene]-1,3-thiazol-2-yl]guanidine
MolecularFormula	C14H12N6OS
Smiles	NC(N)=NC(S/C1=C\c(cccc2)c2-n2nccc2)=NC1=O
InChI	InChI=1S/C14H12N6OS/c15-13(16)19-14-18-12(21)11(22-14)8-9-4-1-2-5-10(9)20-7-3-6-17-20/h1-8H,(H4,15,16,18,19,21)
InChIK	HOEJHPUCBMCGMN-UHFFFAOYSA-N
TotalMolweight	312.356
Molweight	312.356
MonoisotopicMass	312.079329
CLogP	-0.2726
CLogS	-3.625
H Acceptors	7
H Donors	2
TotalSurfaceArea	230.41
Relative PSA	0.44239
PolarSurfaceArea	136.95
Druglikeness	5.0738
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.54545
Fragments	1
Non HAtoms	22
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	2
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	1
Symmetricatoms	1
Aromatic Nitrogens	2
BasicNitrogens	2
StereoCon

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