2-[(3-bromoimidazo[1,2-a]pyrimidin-2-yl)methylsulfanyl]-5-nitro-1,3-benzothiazole

Formula:C14H8N5O2BrS2 Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-[(3-bromoimidazo[1,2-a]pyrimidin-2-yl)methylsulfanyl]-5-nitro-1,3-benzothiazole is a drug-like molecule.

MolName	2-[(3-bromoimidazo[1,2-a]pyrimidin-2-yl)methylsulfanyl]-5-nitro-1,3-benzothiazole
MolecularFormula	C14H8N5O2BrS2
Smiles	[O-][N+](c(cc1)cc2c1sc(SCc(nc1ncccn11)c1Br)n2)=O
InChI	InChI=1S/C14H8BrN5O2S2/c15-12-10(17-13-16-4-1-5-19(12)13)7-23-14-18-9-6-8(20(21)22)2-3-11(9)24-14/h1-6H,7H2
InChIK	QMYOAUWTFLEQIK-UHFFFAOYSA-N
TotalMolweight	422.287
Molweight	422.287
MonoisotopicMass	420.930276
CLogP	1.938
CLogS	-4.551
H Acceptors	7
TotalSurfaceArea	258.64
Relative PSA	0.42194
PolarSurfaceArea	142.44
Druglikeness	-5.7462
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.58333
Fragments	1
Non HAtoms	24
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	4
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	18
Sp3Atoms	3
Aromatic Nitrogens	4
BasicNitrogens	2
AcidicOxygens	1
StereoCon

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1 - 2-[(3-bromoimidazo[1,2-a]pyrimidin-2-yl)methylsulfanyl]-5-nitro-1,3-benzothiazole | 2 - 2-[(3-bromoimidazo[1,2-a]pyrimidin-2-yl)methylsulfanyl]-5-nitro-1,3-benzothiazole

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