6-bromo-2-piperazin-1-yl-1,3-benzothiazole

C11H12BrN3S — CID 42281675

IUPAC6-bromo-2-piperazin-1-yl-1,3-benzothiazole
SMILESBrc1ccc2nc(N3CCNCC3)sc2c1
InChIInChI=1S/C11H12BrN3S/c12-8-1-2-9-10(7-8)16-11(14-9)15-5-3-13-4-6-15/h1-2,7,13H,3-6H2
InChIKeyOHRJQQRXIZWXMH-UHFFFAOYSA-N
MW298.21 g/mol
LogP2.47
Rot. Bonds1

About 6-bromo-2-piperazin-1-yl-1,3-benzothiazole

6-bromo-2-piperazin-1-yl-1,3-benzothiazole (PubChem CID 42281675) has the molecular formula C11H12BrN3S and a molecular weight of 298.21 g/mol. Its IUPAC name is 6-bromo-2-piperazin-1-yl-1,3-benzothiazole.

Molecular Properties

Compound Name6-bromo-2-piperazin-1-yl-1,3-benzothiazole
PubChem CID42281675
Molecular FormulaC11H12BrN3S
Molecular Weight298.21 g/mol
Exact Mass296.99
IUPAC Name6-bromo-2-piperazin-1-yl-1,3-benzothiazole
SMILESBrc1ccc2nc(N3CCNCC3)sc2c1
InChIInChI=1S/C11H12BrN3S/c12-8-1-2-9-10(7-8)16-11(14-9)15-5-3-13-4-6-15/h1-2,7,13H,3-6H2
InChIKeyOHRJQQRXIZWXMH-UHFFFAOYSA-N
XLogP2.47
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.21
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-bromo-2-[4-(4-fluorophenyl)piperazin-1-yl]-1,3-benzothiazole
CID 121083485
2-piperazin-1-yl-1,3-benzothiazole;hydrochloride
CID 45286058
1-(2-piperazin-1-yl-1,3-benzothiazol-6-yl)ethanone
CID 153084897
1-(6-bromo-1,3-benzothiazol-2-yl)azetidin-3-ol
CID 66906067
2-[4-(6-bromo-1,3-benzothiazol-2-yl)piperazin-1-yl]-4-methyl-1,3-benzothiazole
CID 16941442
2-[4-(6-bromo-1,3-benzothiazol-2-yl)piperazin-1-yl]-4,6-difluoro-1,3-benzothiazole
CID 16941666
2-[4-(6-bromo-1,3-benzothiazol-2-yl)piperazin-1-yl]-5-chloro-4-methyl-1,3-benzothiazole
CID 16941669
but-2-enedioic acid;6-chloro-2-piperazin-1-yl-1,3-benzothiazole
CID 68654648
6-butyl-2-piperazin-1-yl-1,3-benzothiazole;hydrochloride
CID 82020498
6-bromo-2-[(3S)-3-piperidin-1-ylpiperidin-1-yl]-1,3-benzothiazole
CID 66905916
[1-(6-bromo-1,3-benzothiazol-2-yl)piperidin-4-yl]-morpholin-4-ylmethanone
CID 165435612
[4-(6-bromo-1,3-benzothiazol-2-yl)piperazin-1-yl]-(1,2-oxazol-5-yl)methanone
CID 18587315

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-piperazin-1-yl-1,3-benzothiazole?
The IUPAC name of 6-bromo-2-piperazin-1-yl-1,3-benzothiazole (CID 42281675) is 6-bromo-2-piperazin-1-yl-1,3-benzothiazole.
What is the SMILES notation for 6-bromo-2-piperazin-1-yl-1,3-benzothiazole?
The canonical SMILES for 6-bromo-2-piperazin-1-yl-1,3-benzothiazole is Brc1ccc2nc(N3CCNCC3)sc2c1.
What is the InChIKey of 6-bromo-2-piperazin-1-yl-1,3-benzothiazole?
The InChIKey is OHRJQQRXIZWXMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrN3S/c12-8-1-2-9-10(7-8)16-11(14-9)15-5-3-13-4-6-15/h1-2,7,13H,3-6H2.
What are the key properties of 6-bromo-2-piperazin-1-yl-1,3-benzothiazole?
6-bromo-2-piperazin-1-yl-1,3-benzothiazole has a molecular weight of 298.21 g/mol, XLogP of 2.47, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-piperazin-1-yl-1,3-benzothiazole is sourced from PubChem (CID 42281675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).