3-phenyl-7-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]-[1,3]thiazolo[4,5-d]pyrimidine-2-thione

Formula:C24H24N5S2 Mutagenic:none Tumorigenic:none Reproductive Effective:none 3-phenyl-7-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]-[1,3]thiazolo[4,5-d]pyrimidine-2-thione is a drug-like molecule.

MolName	3-phenyl-7-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]-[1,3]thiazolo[4,5-d]pyrimidine-2-thione
MolecularFormula	C24H24N5S2
Smiles	S=C(N1c2ccccc2)Sc2c1ncnc2N1CC[NH+](C/C=C/c2ccccc2)CC1
InChI	InChI=1S/C24H23N5S2/c30-24-29(20-11-5-2-6-12-20)23-21(31-24)22(25-18-26-23)28-16-14-27(15-17-28)13-7-10-19-8-3-1-4-9-19/h1-12,18H,13-17H2/p+1
InChIK	KVVOJVPKTJIVNE-UHFFFAOYSA-O
TotalMolweight	446.622
Molweight	446.622
MonoisotopicMass	446.14731
CLogP	1.4818
CLogS	-6.855
H Acceptors	5
H Donors	1
TotalSurfaceArea	353.74
Relative PSA	0.26042
PolarSurfaceArea	94.09
Druglikeness	1.394
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.6129
Fragments	1
Non HAtoms	31
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	5
Rings Closures	5
Small Rings	5
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	8
Symmetricatoms	6
Amines	1
AlkylAmines	1
Aromatic Nitrogens	2
BasicNitrogens	1
StereoCon

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1 - 3-phenyl-7-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]-[1,3]thiazolo[4,5-d]pyrimidine-2-thione | 2 - 3-phenyl-7-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]-[1,3]thiazolo[4,5-d]pyrimidine-2-thione

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