1-[(3R)-1,1-dioxothiolan-3-yl]-3-[(Z)-pyridin-4-ylmethylideneamino]thiourea

Formula:C11H14N4O2S2 Mutagenic:high Tumorigenic:none Reproductive Effective:high 1-[(3R)-1,1-dioxothiolan-3-yl]-3-[(Z)-pyridin-4-ylmethylideneamino]thiourea is a drug-like molecule.

MolName	1-[(3R)-1,1-dioxothiolan-3-yl]-3-[(Z)-pyridin-4-ylmethylideneamino]thiourea
MolecularFormula	C11H14N4O2S2
Smiles	O=S(CC1)(C[C@@H]1NC(N/N=C\c1ccncc1)=S)=O
InChI	InChI=1S/C11H14N4O2S2/c16-19(17)6-3-10(8-19)14-11(18)15-13-7-9-1-4-12-5-2-9/h1-2,4-5,7,10H,3,6,8H2,(H2,14,15,18)/t10-/m0/s1
InChIK	CBKXCUCWYQIVQI-JTQLQIEISA-N
TotalMolweight	298.39
Molweight	298.39
MonoisotopicMass	298.055816
CLogP	0.2463
CLogS	-2.563
H Acceptors	6
H Donors	2
TotalSurfaceArea	221.27
Relative PSA	0.46088
PolarSurfaceArea	123.92
Druglikeness	-0.41376
Mutagenic	high
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions	imine/hydrazone of aldehyde; thio-amide/urea
Shape Index	0.68421
Fragments	1
Non HAtoms	19
NonCHAtoms	8
Electronegative Atoms	8
StereoCenters	1
Rotatable Bond	3
Rings Closures	2
Small Rings	2
Aromatic Rings	1
Aromatic Atoms	6
Sp3Atoms	6
Symmetricatoms	3
Aromatic Nitrogens	1
StereoCon	this enantiomer

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1 - 1-[(3R)-1,1-dioxothiolan-3-yl]-3-[(Z)-pyridin-4-ylmethylideneamino]thiourea | 2 - 1-[(3R)-1,1-dioxothiolan-3-yl]-3-[(Z)-pyridin-4-ylmethylideneamino]thiourea

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