2-[[3-(4-methoxyphenyl)-[1,2]thiazolo[4,5-d]pyrimidin-7-yl]sulfanyl]-1-[(2S)-2-methylpiperidin-1-yl]ethanone

Formula:C20H22N4O2S2 Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-[[3-(4-methoxyphenyl)-[1,2]thiazolo[4,5-d]pyrimidin-7-yl]sulfanyl]-1-[(2S)-2-methylpiperidin-1-yl]ethanone is a drug-like molecule.

MolName	2-[[3-(4-methoxyphenyl)-[1,2]thiazolo[4,5-d]pyrimidin-7-yl]sulfanyl]-1-[(2S)-2-methylpiperidin-1-yl]ethanone
MolecularFormula	C20H22N4O2S2
Smiles	C[C@@H](CCCC1)N1C(CSc(ncnc12)c1snc2-c(cc1)ccc1OC)=O
InChI	InChI=1S/C20H22N4O2S2/c1-13-5-3-4-10-24(13)16(25)11-27-20-19-18(21-12-22-20)17(23-28-19)14-6-8-15(26-2)9-7-14/h6-9,12-13H,3-5,10-11H2,1-2H3/t13-/m0/s1
InChIK	VRNHXBQORVIQAE-ZDUSSCGKSA-N
TotalMolweight	414.553
Molweight	414.553
MonoisotopicMass	414.118416
CLogP	3.7026
CLogS	-3.164
H Acceptors	6
TotalSurfaceArea	307.7
Relative PSA	0.31638
PolarSurfaceArea	121.75
Druglikeness	2.9402
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	low
Nasty Functions
Shape Index	0.60714
Fragments	1
Non HAtoms	28
NonCHAtoms	8
Electronegative Atoms	8
StereoCenters	1
Rotatable Bond	5
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	15
Sp3Atoms	10
Symmetricatoms	2
Amides	1
Aromatic Nitrogens	3
StereoCon	this enantiomer

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1 - 2-[[3-(4-methoxyphenyl)-[1,2]thiazolo[4,5-d]pyrimidin-7-yl]sulfanyl]-1-[(2S)-2-methylpiperidin-1-yl]ethanone | 2 - 2-[[3-(4-methoxyphenyl)-[1,2]thiazolo[4,5-d]pyrimidin-7-yl]sulfanyl]-1-[(2S)-2-methylpiperidin-1-yl]ethanone

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