5-bromo-4-fluoro-1,3-benzothiazol-2-amine;ethane

C9H10BrFN2S — CID 143917595

IUPAC5-bromo-4-fluoro-1,3-benzothiazol-2-amine;ethane
SMILESCC.Nc1nc2c(F)c(Br)ccc2s1
InChIInChI=1S/C7H4BrFN2S.C2H6/c8-3-1-2-4-6(5(3)9)11-7(10)12-4;1-2/h1-2H,(H2,10,11);1-2H3
InChIKeyBOZMURHABOUAFE-UHFFFAOYSA-N
MW277.16 g/mol
LogP3.81
Rot. Bonds

About 5-bromo-4-fluoro-1,3-benzothiazol-2-amine;ethane

5-bromo-4-fluoro-1,3-benzothiazol-2-amine;ethane (PubChem CID 143917595) has the molecular formula C9H10BrFN2S and a molecular weight of 277.16 g/mol. Its IUPAC name is 5-bromo-4-fluoro-1,3-benzothiazol-2-amine;ethane.

Molecular Properties

Compound Name5-bromo-4-fluoro-1,3-benzothiazol-2-amine;ethane
PubChem CID143917595
Molecular FormulaC9H10BrFN2S
Molecular Weight277.16 g/mol
Exact Mass275.97
IUPAC Name5-bromo-4-fluoro-1,3-benzothiazol-2-amine;ethane
SMILESCC.Nc1nc2c(F)c(Br)ccc2s1
InChIInChI=1S/C7H4BrFN2S.C2H6/c8-3-1-2-4-6(5(3)9)11-7(10)12-4;1-2/h1-2H,(H2,10,11);1-2H3
InChIKeyBOZMURHABOUAFE-UHFFFAOYSA-N
XLogP3.81
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.16
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-fluoro-1,3-benzothiazol-2-amine;ethane?
The IUPAC name of 5-bromo-4-fluoro-1,3-benzothiazol-2-amine;ethane (CID 143917595) is 5-bromo-4-fluoro-1,3-benzothiazol-2-amine;ethane.
What is the SMILES notation for 5-bromo-4-fluoro-1,3-benzothiazol-2-amine;ethane?
The canonical SMILES for 5-bromo-4-fluoro-1,3-benzothiazol-2-amine;ethane is CC.Nc1nc2c(F)c(Br)ccc2s1.
What is the InChIKey of 5-bromo-4-fluoro-1,3-benzothiazol-2-amine;ethane?
The InChIKey is BOZMURHABOUAFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4BrFN2S.C2H6/c8-3-1-2-4-6(5(3)9)11-7(10)12-4;1-2/h1-2H,(H2,10,11);1-2H3.
What are the key properties of 5-bromo-4-fluoro-1,3-benzothiazol-2-amine;ethane?
5-bromo-4-fluoro-1,3-benzothiazol-2-amine;ethane has a molecular weight of 277.16 g/mol, XLogP of 3.81, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-fluoro-1,3-benzothiazol-2-amine;ethane is sourced from PubChem (CID 143917595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).