2-(2-bromophenyl)-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole

C15H13BrN2S — CID 115280231

IUPAC2-(2-bromophenyl)-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole
SMILESBrc1ccccc1-c1cn2c3c(sc2n1)CCCC3
InChIInChI=1S/C15H13BrN2S/c16-11-6-2-1-5-10(11)12-9-18-13-7-3-4-8-14(13)19-15(18)17-12/h1-2,5-6,9H,3-4,7-8H2
InChIKeyWNJLLPNTOHPZSE-UHFFFAOYSA-N
MW333.25 g/mol
LogP4.70
Rot. Bonds1

About 2-(2-bromophenyl)-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole

2-(2-bromophenyl)-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole (PubChem CID 115280231) has the molecular formula C15H13BrN2S and a molecular weight of 333.25 g/mol. Its IUPAC name is 2-(2-bromophenyl)-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole.

Molecular Properties

Compound Name2-(2-bromophenyl)-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole
PubChem CID115280231
Molecular FormulaC15H13BrN2S
Molecular Weight333.25 g/mol
Exact Mass332.00
IUPAC Name2-(2-bromophenyl)-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole
SMILESBrc1ccccc1-c1cn2c3c(sc2n1)CCCC3
InChIInChI=1S/C15H13BrN2S/c16-11-6-2-1-5-10(11)12-9-18-13-7-3-4-8-14(13)19-15(18)17-12/h1-2,5-6,9H,3-4,7-8H2
InChIKeyWNJLLPNTOHPZSE-UHFFFAOYSA-N
XLogP4.70
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.25
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-ethylphenyl)-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole
CID 142736082
10-(4-bromophenyl)-7-thia-1,9-diazatricyclo[6.3.0.02,6]undeca-2(6),8,10-triene
CID 83085913
10-(4-bromo-2-fluorophenyl)-7-thia-1,9-diazatricyclo[6.3.0.02,6]undeca-2(6),8,10-triene
CID 83086628
2-(5-methylthiophen-2-yl)-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole
CID 83085510
2-(1-benzofuran-2-yl)-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole
CID 83091886
2-(3-chlorophenyl)-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole
CID 115280232
10-pyridin-3-yl-7-thia-1,9-diazatricyclo[6.3.0.02,6]undeca-2(6),8,10-triene
CID 83086528
10-(2-chloro-4-fluorophenyl)-7-thia-1,9-diazatricyclo[6.3.0.02,6]undeca-2(6),8,10-triene
CID 83085616
10-(1-ethylpyrazol-4-yl)-7-thia-1,9-diazatricyclo[6.3.0.02,6]undeca-2(6),8,10-triene
CID 83086835
2-(2-bromophenyl)-4,5,6,7,8,9-hexahydrocycloocta[d][1,3]thiazole
CID 79831949
4-(4-bromophenyl)-7-thia-2,5,10-triazatricyclo[6.4.0.02,6]dodeca-1(8),3,5-triene
CID 39203312
2-(2-bromophenyl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole
CID 79831749

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenyl)-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole?
The IUPAC name of 2-(2-bromophenyl)-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole (CID 115280231) is 2-(2-bromophenyl)-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole.
What is the SMILES notation for 2-(2-bromophenyl)-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole?
The canonical SMILES for 2-(2-bromophenyl)-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole is Brc1ccccc1-c1cn2c3c(sc2n1)CCCC3.
What is the InChIKey of 2-(2-bromophenyl)-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole?
The InChIKey is WNJLLPNTOHPZSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrN2S/c16-11-6-2-1-5-10(11)12-9-18-13-7-3-4-8-14(13)19-15(18)17-12/h1-2,5-6,9H,3-4,7-8H2.
What are the key properties of 2-(2-bromophenyl)-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole?
2-(2-bromophenyl)-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole has a molecular weight of 333.25 g/mol, XLogP of 4.70, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenyl)-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole is sourced from PubChem (CID 115280231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).