2-[3-(4-bromophenyl)-5-chlorophenyl]-1,3-benzothiazole

C19H11BrClNS — CID 156550838

IUPAC2-[3-(4-bromophenyl)-5-chlorophenyl]-1,3-benzothiazole
SMILESClc1cc(-c2ccc(Br)cc2)cc(-c2nc3ccccc3s2)c1
InChIInChI=1S/C19H11BrClNS/c20-15-7-5-12(6-8-15)13-9-14(11-16(21)10-13)19-22-17-3-1-2-4-18(17)23-19/h1-11H
InChIKeyXQBVGTHGMMWMCP-UHFFFAOYSA-N
MW400.73 g/mol
LogP7.05
Rot. Bonds2

About 2-[3-(4-bromophenyl)-5-chlorophenyl]-1,3-benzothiazole

2-[3-(4-bromophenyl)-5-chlorophenyl]-1,3-benzothiazole (PubChem CID 156550838) has the molecular formula C19H11BrClNS and a molecular weight of 400.73 g/mol. Its IUPAC name is 2-[3-(4-bromophenyl)-5-chlorophenyl]-1,3-benzothiazole.

Molecular Properties

Compound Name2-[3-(4-bromophenyl)-5-chlorophenyl]-1,3-benzothiazole
PubChem CID156550838
Molecular FormulaC19H11BrClNS
Molecular Weight400.73 g/mol
Exact Mass398.95
IUPAC Name2-[3-(4-bromophenyl)-5-chlorophenyl]-1,3-benzothiazole
SMILESClc1cc(-c2ccc(Br)cc2)cc(-c2nc3ccccc3s2)c1
InChIInChI=1S/C19H11BrClNS/c20-15-7-5-12(6-8-15)13-9-14(11-16(21)10-13)19-22-17-3-1-2-4-18(17)23-19/h1-11H
InChIKeyXQBVGTHGMMWMCP-UHFFFAOYSA-N
XLogP7.05
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.73
LogP ≤ 57.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[3-(1,3-benzothiazol-2-yl)-5-bromophenyl]-1,3-benzothiazole
CID 139449990
2-[3-[3-(3-chlorophenyl)phenyl]phenyl]-1,3-benzothiazole
CID 169291592
2-(4-bromo-3-chlorophenyl)-1,3-benzothiazole
CID 94675121
2-(3,4,5-trichlorophenyl)-1,3-benzothiazole
CID 50849600
2-[4-[7-[4-(1,3-benzothiazol-2-yl)phenyl]naphthalen-2-yl]phenyl]-1,3-benzothiazole
CID 130389356
2-[3-(3,5-dichlorophenyl)-1H-pyrazol-5-yl]-1,3-benzothiazole
CID 141131792
CID 89196676
CID 89196676
2-(6-bromo-9,10-diphenylanthracen-2-yl)-1,3-benzothiazole
CID 142722326
2-[2-(4-bromophenyl)imidazo[1,2-a]pyridin-3-yl]-1,3-benzothiazole
CID 132527622
5-(1,3-benzothiazol-2-yl)-2-bromoaniline
CID 762786
2-[4-[10-(3,5-diphenylphenyl)-9-phenylanthracen-2-yl]phenyl]-1,3-benzothiazole
CID 129257154
2-[3-(1,3-benzothiazol-2-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,3-benzothiazole
CID 176740300

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-bromophenyl)-5-chlorophenyl]-1,3-benzothiazole?
The IUPAC name of 2-[3-(4-bromophenyl)-5-chlorophenyl]-1,3-benzothiazole (CID 156550838) is 2-[3-(4-bromophenyl)-5-chlorophenyl]-1,3-benzothiazole.
What is the SMILES notation for 2-[3-(4-bromophenyl)-5-chlorophenyl]-1,3-benzothiazole?
The canonical SMILES for 2-[3-(4-bromophenyl)-5-chlorophenyl]-1,3-benzothiazole is Clc1cc(-c2ccc(Br)cc2)cc(-c2nc3ccccc3s2)c1.
What is the InChIKey of 2-[3-(4-bromophenyl)-5-chlorophenyl]-1,3-benzothiazole?
The InChIKey is XQBVGTHGMMWMCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11BrClNS/c20-15-7-5-12(6-8-15)13-9-14(11-16(21)10-13)19-22-17-3-1-2-4-18(17)23-19/h1-11H.
What are the key properties of 2-[3-(4-bromophenyl)-5-chlorophenyl]-1,3-benzothiazole?
2-[3-(4-bromophenyl)-5-chlorophenyl]-1,3-benzothiazole has a molecular weight of 400.73 g/mol, XLogP of 7.05, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-bromophenyl)-5-chlorophenyl]-1,3-benzothiazole is sourced from PubChem (CID 156550838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).