1-(6-bromo-1,3-benzothiazol-2-yl)azetidin-3-ol

C10H9BrN2OS — CID 66906067

IUPAC1-(6-bromo-1,3-benzothiazol-2-yl)azetidin-3-ol
SMILESOC1CN(c2nc3ccc(Br)cc3s2)C1
InChIInChI=1S/C10H9BrN2OS/c11-6-1-2-8-9(3-6)15-10(12-8)13-4-7(14)5-13/h1-3,7,14H,4-5H2
InChIKeyNCCLVBAIQKYMAT-UHFFFAOYSA-N
MW285.17 g/mol
LogP2.24
Rot. Bonds1

About 1-(6-bromo-1,3-benzothiazol-2-yl)azetidin-3-ol

1-(6-bromo-1,3-benzothiazol-2-yl)azetidin-3-ol (PubChem CID 66906067) has the molecular formula C10H9BrN2OS and a molecular weight of 285.17 g/mol. Its IUPAC name is 1-(6-bromo-1,3-benzothiazol-2-yl)azetidin-3-ol.

Molecular Properties

Compound Name1-(6-bromo-1,3-benzothiazol-2-yl)azetidin-3-ol
PubChem CID66906067
Molecular FormulaC10H9BrN2OS
Molecular Weight285.17 g/mol
Exact Mass283.96
IUPAC Name1-(6-bromo-1,3-benzothiazol-2-yl)azetidin-3-ol
SMILESOC1CN(c2nc3ccc(Br)cc3s2)C1
InChIInChI=1S/C10H9BrN2OS/c11-6-1-2-8-9(3-6)15-10(12-8)13-4-7(14)5-13/h1-3,7,14H,4-5H2
InChIKeyNCCLVBAIQKYMAT-UHFFFAOYSA-N
XLogP2.24
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.17
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-bromo-2-piperazin-1-yl-1,3-benzothiazole
CID 42281675
6-bromo-2-[4-(4-fluorophenyl)piperazin-1-yl]-1,3-benzothiazole
CID 121083485
6-bromo-2-[(3S)-3-piperidin-1-ylpiperidin-1-yl]-1,3-benzothiazole
CID 66905916
1-(6-methyl-1,3-benzothiazol-2-yl)pyrrolidin-3-ol
CID 154580774
[4-(6-bromo-1,3-benzothiazol-2-yl)morpholin-2-yl]-morpholin-4-ylmethanone
CID 155981583
4-(6-bromo-1,3-benzothiazol-2-yl)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
CID 168973819
2-[4-(6-bromo-1,3-benzothiazol-2-yl)piperazin-1-yl]-4-methyl-1,3-benzothiazole
CID 16941442
[1-(6-bromo-1,3-benzothiazol-2-yl)piperidin-4-yl]-morpholin-4-ylmethanone
CID 165435612
2-[4-(6-bromo-1,3-benzothiazol-2-yl)piperazin-1-yl]-4,6-difluoro-1,3-benzothiazole
CID 16941666
[1-(6-fluoro-1,3-benzothiazol-2-yl)azetidin-3-yl] 4-bromobenzoate
CID 90606572
2-[4-(6-bromo-1,3-benzothiazol-2-yl)piperazin-1-yl]-5-chloro-4-methyl-1,3-benzothiazole
CID 16941669
4-(aminomethyl)-1-(6-bromo-1,3-benzothiazol-2-yl)pyrrolidin-2-one
CID 168661404

Frequently Asked Questions

What is the IUPAC name of 1-(6-bromo-1,3-benzothiazol-2-yl)azetidin-3-ol?
The IUPAC name of 1-(6-bromo-1,3-benzothiazol-2-yl)azetidin-3-ol (CID 66906067) is 1-(6-bromo-1,3-benzothiazol-2-yl)azetidin-3-ol.
What is the SMILES notation for 1-(6-bromo-1,3-benzothiazol-2-yl)azetidin-3-ol?
The canonical SMILES for 1-(6-bromo-1,3-benzothiazol-2-yl)azetidin-3-ol is OC1CN(c2nc3ccc(Br)cc3s2)C1.
What is the InChIKey of 1-(6-bromo-1,3-benzothiazol-2-yl)azetidin-3-ol?
The InChIKey is NCCLVBAIQKYMAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrN2OS/c11-6-1-2-8-9(3-6)15-10(12-8)13-4-7(14)5-13/h1-3,7,14H,4-5H2.
What are the key properties of 1-(6-bromo-1,3-benzothiazol-2-yl)azetidin-3-ol?
1-(6-bromo-1,3-benzothiazol-2-yl)azetidin-3-ol has a molecular weight of 285.17 g/mol, XLogP of 2.24, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-bromo-1,3-benzothiazol-2-yl)azetidin-3-ol is sourced from PubChem (CID 66906067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).