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

Formula:C16H10N4O3S2 Mutagenic:none Tumorigenic:none Reproductive Effective:none 5-amino-6-[(E)-(3-hydroxy-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]-2-thiophen-2-yl-[1,3,4]thiadiazolo[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]-2-thiophen-2-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
MolecularFormula	C16H10N4O3S2
Smiles	NC(N1N=C(c2cccs2)SC1=N1)=C(/C=C(\C=CC2=O)/C=C2O)C1=O
InChI	InChI=1S/C16H10N4O3S2/c17-13-9(6-8-3-4-10(21)11(22)7-8)14(23)18-16-20(13)19-15(25-16)12-2-1-5-24-12/h1-7,22H,17H2
InChIK	WHYGJMZKAYJCFT-UHFFFAOYSA-N
TotalMolweight	370.412
Molweight	370.412
MonoisotopicMass	370.019431
CLogP	1.9398
CLogS	-5.591
H Acceptors	7
H Donors	2
TotalSurfaceArea	251.64
Relative PSA	0.47238
PolarSurfaceArea	161.89
Druglikeness	6.3951
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	polar activated DB
Shape Index	0.56
Fragments	1
Non HAtoms	25
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	2
Rings Closures	4
Small Rings	4
Aromatic Rings	1
Aromatic Atoms	5
Sp3Atoms	2
BasicNitrogens	1
StereoCon

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

Request More Details | 5-amino-6-[(E)-(3-hydroxy-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]-2-thiophen-2-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one

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