[(Z)-(2-phenyl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazol-1-yl)methylideneamino]thiourea

Formula:C17H17N5S2 Mutagenic:none Tumorigenic:none Reproductive Effective:none [(Z)-(2-phenyl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazol-1-yl)methylideneamino]thiourea is a drug-like molecule.

MolName[(Z)-(2-phenyl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazol-1-yl)methylideneamino]thiourea
MolecularFormulaC17H17N5S2
SmilesNC(N/N=C\c1c(-c2ccccc2)nc2sc(CCCC3)c3n12)=S
InChIInChI=1S/C17H17N5S2/c18-16(23)21-19-10-13-15(11-6-2-1-3-7-11)20-17-22(13)12-8-4-5-9-14(12)24-17/h1-3,6-7,10H,4-5,8-9H2,(H3,18,21,23)
InChIKCLWPKPXAUTVJBA-UHFFFAOYSA-N
TotalMolweight355.489
Molweight355.489
MonoisotopicMass355.092535
CLogP3.7024
CLogS-4.677
H Acceptors5
H Donors2
TotalSurfaceArea271.96
Relative PSA0.388
PolarSurfaceArea128.04
Druglikeness-0.41192
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functionsimine/hydrazone of aldehyde; thio-amide/urea
Shape Index0.45833
Fragments1
Non HAtoms24
NonCHAtoms7
Electronegative Atoms7
Rotatable Bond3
Rings Closures4
Small Rings4
Aromatic Rings3
Aromatic Atoms14
Sp3Atoms5
Symmetricatoms2
Aromatic Nitrogens2
StereoCon

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