5-amino-6-[(E)-(3-hydroxy-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]-3-phenyl-[1,3]thiazolo[3,2-a]pyrimidin-7-one

Formula:C19H13N3O3S Mutagenic:none Tumorigenic:none Reproductive Effective:none 5-amino-6-[(E)-(3-hydroxy-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]-3-phenyl-[1,3]thiazolo[3,2-a]pyrimidin-7-one is a drug-like molecule.

MolName	5-amino-6-[(E)-(3-hydroxy-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]-3-phenyl-[1,3]thiazolo[3,2-a]pyrimidin-7-one
MolecularFormula	C19H13N3O3S
Smiles	NC(N(C(c1ccccc1)=CS1)C1=N1)=C(/C=C(\C=CC2=O)/C=C2O)C1=O
InChI	InChI=1S/C19H13N3O3S/c20-17-13(8-11-6-7-15(23)16(24)9-11)18(25)21-19-22(17)14(10-26-19)12-4-2-1-3-5-12/h1-10,24H,20H2
InChIK	AYPJRLBXSPLLMR-UHFFFAOYSA-N
TotalMolweight	363.396
Molweight	363.396
MonoisotopicMass	363.067762
CLogP	1.9336
CLogS	-4.787
H Acceptors	6
H Donors	2
TotalSurfaceArea	257.44
Relative PSA	0.33794
PolarSurfaceArea	121.29
Druglikeness	4.202
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	polar activated DB
Shape Index	0.53846
Fragments	1
Non HAtoms	26
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	2
Rings Closures	4
Small Rings	4
Aromatic Rings	1
Aromatic Atoms	6
Sp3Atoms	2
Symmetricatoms	2
BasicNitrogens	1
StereoCon

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1 - 5-amino-6-[(E)-(3-hydroxy-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]-3-phenyl-[1,3]thiazolo[3,2-a]pyrimidin-7-one | 2 - 5-amino-6-[(E)-(3-hydroxy-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]-3-phenyl-[1,3]thiazolo[3,2-a]pyrimidin-7-one

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