(5E)-5-[(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methylidene]-2-thiophen-2-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one

Formula:C22H13N5OS3 Mutagenic:none Tumorigenic:none Reproductive Effective:none (5E)-5-[(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methylidene]-2-thiophen-2-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one is a drug-like molecule.

MolName	(5E)-5-[(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methylidene]-2-thiophen-2-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
MolecularFormula	C22H13N5OS3
Smiles	O=C1n2nc(-c3cccs3)nc2S/C1=C/c1cn(-c2ccccc2)nc1-c1cccs1
InChI	InChI=1S/C22H13N5OS3/c28-21-18(31-22-23-20(25-27(21)22)17-9-5-11-30-17)12-14-13-26(15-6-2-1-3-7-15)24-19(14)16-8-4-10-29-16/h1-13H
InChIK	KSAFYYKCQIHORP-UHFFFAOYSA-N
TotalMolweight	459.577
Molweight	459.577
MonoisotopicMass	459.02822
CLogP	4.3214
CLogS	-6.905
H Acceptors	6
TotalSurfaceArea	325.31
Relative PSA	0.36242
PolarSurfaceArea	147.38
Druglikeness	5.2959
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.51613
Fragments	1
Non HAtoms	31
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	4
Rings Closures	6
Small Rings	6
Aromatic Rings	5
Aromatic Atoms	26
Sp3Atoms	1
Symmetricatoms	2
Aromatic Nitrogens	5
StereoCon

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1 - (5E)-5-[(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methylidene]-2-thiophen-2-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one | 2 - (5E)-5-[(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methylidene]-2-thiophen-2-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one

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