[3-[[(3aR,6aS)-5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-yl]amino]phenyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone

Formula:C21H23N5O3S2 Mutagenic:none Tumorigenic:none Reproductive Effective:none [3-[[(3aR,6aS)-5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-yl]amino]phenyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone is a drug-like molecule.

MolName	[3-[[(3aR,6aS)-5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-yl]amino]phenyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
MolecularFormula	C21H23N5O3S2
Smiles	O=C(c1cccc(NC2=N[C@H](CS(C3)(=O)=O)[C@@H]3S2)c1)N(CC1)CCN1c1ncccc1
InChI	InChI=1S/C21H23N5O3S2/c27-20(26-10-8-25(9-11-26)19-6-1-2-7-22-19)15-4-3-5-16(12-15)23-21-24-17-13-31(28,29)14-18(17)30-21/h1-7,12,17-18H,8-11,13-14H2,(H,23,24)/t17-,18-/m0/s1
InChIK	XWYPWHYWDQRTQZ-ROUUACIJSA-N
TotalMolweight	457.578
Molweight	457.578
MonoisotopicMass	457.12423
CLogP	1.336
CLogS	-3.857
H Acceptors	8
H Donors	1
TotalSurfaceArea	317.69
Relative PSA	0.31524
PolarSurfaceArea	128.65
Druglikeness	5.5901
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.6129
Fragments	1
Non HAtoms	31
NonCHAtoms	10
Electronegative Atoms	10
StereoCenters	2
Rotatable Bond	3
Rings Closures	5
Small Rings	5
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	10
Symmetricatoms	3
Amides	1
Aromatic Nitrogens	1
BasicNitrogens	2
StereoCon	this enantiomer

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1 - [3-[[(3aR,6aS)-5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-yl]amino]phenyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone | 2 - [3-[[(3aR,6aS)-5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-yl]amino]phenyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone

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