2-[(5S)-2-amino-4-oxo-1,3-thiazol-5-yl]-N-[3-(4-pyridin-2-ylpiperazine-1-carbonyl)phenyl]acetamide

Formula:C21H22N6O3S Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-[(5S)-2-amino-4-oxo-1,3-thiazol-5-yl]-N-[3-(4-pyridin-2-ylpiperazine-1-carbonyl)phenyl]acetamide is a drug-like molecule.

MolName	2-[(5S)-2-amino-4-oxo-1,3-thiazol-5-yl]-N-[3-(4-pyridin-2-ylpiperazine-1-carbonyl)phenyl]acetamide
MolecularFormula	C21H22N6O3S
Smiles	NC(S[C@H]1CC(Nc2cc(C(N(CC3)CCN3c3ncccc3)=O)ccc2)=O)=NC1=O
InChI	InChI=1S/C21H22N6O3S/c22-21-25-19(29)16(31-21)13-18(28)24-15-5-3-4-14(12-15)20(30)27-10-8-26(9-11-27)17-6-1-2-7-23-17/h1-7,12,16H,8-11,13H2,(H,24,28)(H2,22,25,29)/t16-/m0/s1
InChIK	YBLRTKDPFNCBES-INIZCTEOSA-N
TotalMolweight	438.511
Molweight	438.511
MonoisotopicMass	438.147409
CLogP	1.0266
CLogS	-3.686
H Acceptors	9
H Donors	2
TotalSurfaceArea	320.37
Relative PSA	0.35247
PolarSurfaceArea	146.29
Druglikeness	9.2698
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	1
Rotatable Bond	5
Rings Closures	4
Small Rings	4
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	7
Symmetricatoms	2
Amides	2
Aromatic Nitrogens	1
BasicNitrogens	2
StereoCon	this enantiomer

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1 - 2-[(5S)-2-amino-4-oxo-1,3-thiazol-5-yl]-N-[3-(4-pyridin-2-ylpiperazine-1-carbonyl)phenyl]acetamide | 2 - 2-[(5S)-2-amino-4-oxo-1,3-thiazol-5-yl]-N-[3-(4-pyridin-2-ylpiperazine-1-carbonyl)phenyl]acetamide

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