(6Z)-2-(1-adamantyl)-5-imino-6-(thiophen-2-ylmethylidene)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one

Formula:C20H20N4OS2 Mutagenic:none Tumorigenic:none Reproductive Effective:none (6Z)-2-(1-adamantyl)-5-imino-6-(thiophen-2-ylmethylidene)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one is a drug-like molecule.

MolName	(6Z)-2-(1-adamantyl)-5-imino-6-(thiophen-2-ylmethylidene)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
MolecularFormula	C20H20N4OS2
Smiles	N=C(/C1=C/c2cccs2)N2N=C(C3(CC(C4)C5)CC5CC4C3)SC2=NC1=O
InChI	InChI=1S/C20H20N4OS2/c21-16-15(7-14-2-1-3-26-14)17(25)22-19-24(16)23-18(27-19)20-8-11-4-12(9-20)6-13(5-11)10-20/h1-3,7,11-13,21H,4-6,8-10H2
InChIK	YBRWLTMNYINFHA-UHFFFAOYSA-N
TotalMolweight	396.538
Molweight	396.538
MonoisotopicMass	396.107851
CLogP	2.3239
CLogS	-4.001
H Acceptors	5
H Donors	1
TotalSurfaceArea	268.67
Relative PSA	0.34637
PolarSurfaceArea	122.42
Druglikeness	5.6685
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	twice activated DB
Shape Index	0.48148
Fragments	1
Non HAtoms	27
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	2
Rings Closures	6
Small Rings	7
Aromatic Rings	1
Aromatic Atoms	5
Sp3Atoms	11
Symmetricatoms	6
BasicNitrogens	1
StereoCon

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1 - (6Z)-2-(1-adamantyl)-5-imino-6-(thiophen-2-ylmethylidene)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one | 2 - (6Z)-2-(1-adamantyl)-5-imino-6-(thiophen-2-ylmethylidene)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one

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