[(Z)-(2-piperidin-1-yl-4-thiophen-2-yl-1,3-thiazol-5-yl)methylideneamino]urea

Formula:C14H17N5OS2 Mutagenic:high Tumorigenic:none Reproductive Effective:none [(Z)-(2-piperidin-1-yl-4-thiophen-2-yl-1,3-thiazol-5-yl)methylideneamino]urea is a drug-like molecule.

MolName[(Z)-(2-piperidin-1-yl-4-thiophen-2-yl-1,3-thiazol-5-yl)methylideneamino]urea
MolecularFormulaC14H17N5OS2
SmilesNC(N/N=C\c1c(-c2cccs2)nc(N2CCCCC2)s1)=O
InChIInChI=1S/C14H17N5OS2/c15-13(20)18-16-9-11-12(10-5-4-8-21-10)17-14(22-11)19-6-2-1-3-7-19/h4-5,8-9H,1-3,6-7H2,(H3,15,18,20)
InChIKZIMUJUSYQGZTEM-UHFFFAOYSA-N
TotalMolweight335.455
Molweight335.455
MonoisotopicMass335.08745
CLogP3.4495
CLogS-5.348
H Acceptors6
H Donors2
TotalSurfaceArea251.75
Relative PSA0.42312
PolarSurfaceArea140.09
Druglikeness6.0796
Mutagenichigh
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functionsimine/hydrazone of aldehyde
Shape Index0.54545
Fragments1
Non HAtoms22
NonCHAtoms8
Electronegative Atoms8
Rotatable Bond4
Rings Closures3
Small Rings3
Aromatic Rings2
Aromatic Atoms10
Sp3Atoms5
Symmetricatoms2
Amides1
Aromatic Nitrogens1
StereoCon

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