6-fluoro-1,3-benzothiazol-2-amine;hydrobromide

C7H6BrFN2S — CID 139217681

IUPAC6-fluoro-1,3-benzothiazol-2-amine;hydrobromide
SMILESBr.Nc1nc2ccc(F)cc2s1
InChIInChI=1S/C7H5FN2S.BrH/c8-4-1-2-5-6(3-4)11-7(9)10-5;/h1-3H,(H2,9,10);1H
InChIKeyYZYJSJHASXBBBA-UHFFFAOYSA-N
MW249.11 g/mol
LogP2.60
Rot. Bonds

About 6-fluoro-1,3-benzothiazol-2-amine;hydrobromide

6-fluoro-1,3-benzothiazol-2-amine;hydrobromide (PubChem CID 139217681) has the molecular formula C7H6BrFN2S and a molecular weight of 249.11 g/mol. Its IUPAC name is 6-fluoro-1,3-benzothiazol-2-amine;hydrobromide.

Molecular Properties

Compound Name6-fluoro-1,3-benzothiazol-2-amine;hydrobromide
PubChem CID139217681
Molecular FormulaC7H6BrFN2S
Molecular Weight249.11 g/mol
Exact Mass247.94
IUPAC Name6-fluoro-1,3-benzothiazol-2-amine;hydrobromide
SMILESBr.Nc1nc2ccc(F)cc2s1
InChIInChI=1S/C7H5FN2S.BrH/c8-4-1-2-5-6(3-4)11-7(9)10-5;/h1-3H,(H2,9,10);1H
InChIKeyYZYJSJHASXBBBA-UHFFFAOYSA-N
XLogP2.60
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.11
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-[(4-fluorophenyl)methoxy]-1,3-benzothiazol-2-amine
CID 17244955
2-amino-1,3-benzothiazole-6-sulfonyl fluoride
CID 130156167
2-amino-N-(4-fluorophenyl)-1,3-benzothiazole-6-carboxamide
CID 60636089
6-hydrazinyl-1,3-benzothiazol-2-amine
CID 116994182
2-amino-N-(4-fluorophenyl)-N-methyl-1,3-benzothiazole-6-carboxamide
CID 65349019
3-(6-fluoro-1,3-benzothiazol-2-yl)pyrazin-2-amine
CID 79148122
6-(trifluoromethylsulfanyl)-1,3-benzothiazol-2-amine
CID 2735964
(2-amino-1,3-benzothiazol-6-yl)boronic acid
CID 119086634
6-N,6-N-dimethyl-1,3-benzothiazole-2,6-diamine
CID 17244961
N'-(6-fluoro-1,3-benzothiazol-2-yl)propane-1,3-diamine
CID 82191684
4-bromo-2-(6-fluoro-1,3-benzothiazol-2-yl)aniline
CID 79148767
4-[2-(6-fluoro-1,3-benzothiazol-2-yl)propan-2-yl]aniline
CID 80556024

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-1,3-benzothiazol-2-amine;hydrobromide?
The IUPAC name of 6-fluoro-1,3-benzothiazol-2-amine;hydrobromide (CID 139217681) is 6-fluoro-1,3-benzothiazol-2-amine;hydrobromide.
What is the SMILES notation for 6-fluoro-1,3-benzothiazol-2-amine;hydrobromide?
The canonical SMILES for 6-fluoro-1,3-benzothiazol-2-amine;hydrobromide is Br.Nc1nc2ccc(F)cc2s1.
What is the InChIKey of 6-fluoro-1,3-benzothiazol-2-amine;hydrobromide?
The InChIKey is YZYJSJHASXBBBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5FN2S.BrH/c8-4-1-2-5-6(3-4)11-7(9)10-5;/h1-3H,(H2,9,10);1H.
What are the key properties of 6-fluoro-1,3-benzothiazol-2-amine;hydrobromide?
6-fluoro-1,3-benzothiazol-2-amine;hydrobromide has a molecular weight of 249.11 g/mol, XLogP of 2.60, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-1,3-benzothiazol-2-amine;hydrobromide is sourced from PubChem (CID 139217681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).