5-bromo-7-fluoro-1,3-benzothiazol-2-amine

C7H4BrFN2S — CID 126673815

IUPAC5-bromo-7-fluoro-1,3-benzothiazol-2-amine
SMILESNc1nc2cc(Br)cc(F)c2s1
InChIInChI=1S/C7H4BrFN2S/c8-3-1-4(9)6-5(2-3)11-7(10)12-6/h1-2H,(H2,10,11)
InChIKeyRKMSIRMCSJHDHZ-UHFFFAOYSA-N
MW247.09 g/mol
LogP2.78
Rot. Bonds

About 5-bromo-7-fluoro-1,3-benzothiazol-2-amine

5-bromo-7-fluoro-1,3-benzothiazol-2-amine (PubChem CID 126673815) has the molecular formula C7H4BrFN2S and a molecular weight of 247.09 g/mol. Its IUPAC name is 5-bromo-7-fluoro-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name5-bromo-7-fluoro-1,3-benzothiazol-2-amine
PubChem CID126673815
Molecular FormulaC7H4BrFN2S
Molecular Weight247.09 g/mol
Exact Mass245.93
IUPAC Name5-bromo-7-fluoro-1,3-benzothiazol-2-amine
SMILESNc1nc2cc(Br)cc(F)c2s1
InChIInChI=1S/C7H4BrFN2S/c8-3-1-4(9)6-5(2-3)11-7(10)12-6/h1-2H,(H2,10,11)
InChIKeyRKMSIRMCSJHDHZ-UHFFFAOYSA-N
XLogP2.78
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.09
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-7-methyl-1,3-benzothiazol-2-amine
CID 89313345
6-bromo-5,7-difluoro-1,3-benzothiazol-2-amine
CID 26597119
7-bromo-6-fluoro-1,3-benzothiazol-2-amine
CID 22720417
3,7-dibromo-5-fluoroquinolin-2-amine
CID 138687958
4-(4-bromo-2,6-difluorophenyl)-1,3-thiazol-2-amine
CID 112562091
5,7-difluoro-4-methyl-1,3-benzothiazol-2-amine;ethane
CID 169182238
5,7-difluoro-4-methyl-1,3-benzothiazol-2-amine;ethane
CID 164903761
5,7-dimethyl-1,3-benzothiazol-2-amine
CID 2049896
5,7-difluoro-4-propan-2-yl-1,3-benzothiazol-2-amine
CID 164904591
7-(2,4,6-tribromophenyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine
CID 79625093
7-bromo-2,3-dichloro-5-fluoroquinoxaline
CID 58475289
5-methoxy-[1,3]thiazolo[5,4-e][1,3]benzothiazole-2,7-diamine
CID 15180051

Frequently Asked Questions

What is the IUPAC name of 5-bromo-7-fluoro-1,3-benzothiazol-2-amine?
The IUPAC name of 5-bromo-7-fluoro-1,3-benzothiazol-2-amine (CID 126673815) is 5-bromo-7-fluoro-1,3-benzothiazol-2-amine.
What is the SMILES notation for 5-bromo-7-fluoro-1,3-benzothiazol-2-amine?
The canonical SMILES for 5-bromo-7-fluoro-1,3-benzothiazol-2-amine is Nc1nc2cc(Br)cc(F)c2s1.
What is the InChIKey of 5-bromo-7-fluoro-1,3-benzothiazol-2-amine?
The InChIKey is RKMSIRMCSJHDHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4BrFN2S/c8-3-1-4(9)6-5(2-3)11-7(10)12-6/h1-2H,(H2,10,11).
What are the key properties of 5-bromo-7-fluoro-1,3-benzothiazol-2-amine?
5-bromo-7-fluoro-1,3-benzothiazol-2-amine has a molecular weight of 247.09 g/mol, XLogP of 2.78, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-7-fluoro-1,3-benzothiazol-2-amine is sourced from PubChem (CID 126673815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).