6-bromo-N-(2-fluoroethyl)-1,3-benzothiazol-2-amine

C9H8BrFN2S — CID 59283069

IUPAC6-bromo-N-(2-fluoroethyl)-1,3-benzothiazol-2-amine
SMILESFCCNc1nc2ccc(Br)cc2s1
InChIInChI=1S/C9H8BrFN2S/c10-6-1-2-7-8(5-6)14-9(13-7)12-4-3-11/h1-2,5H,3-4H2,(H,12,13)
InChIKeyQUKYFPCCVQWLBV-UHFFFAOYSA-N
MW275.15 g/mol
LogP3.44
Rot. Bonds3

About 6-bromo-N-(2-fluoroethyl)-1,3-benzothiazol-2-amine

6-bromo-N-(2-fluoroethyl)-1,3-benzothiazol-2-amine (PubChem CID 59283069) has the molecular formula C9H8BrFN2S and a molecular weight of 275.15 g/mol. Its IUPAC name is 6-bromo-N-(2-fluoroethyl)-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name6-bromo-N-(2-fluoroethyl)-1,3-benzothiazol-2-amine
PubChem CID59283069
Molecular FormulaC9H8BrFN2S
Molecular Weight275.15 g/mol
Exact Mass273.96
IUPAC Name6-bromo-N-(2-fluoroethyl)-1,3-benzothiazol-2-amine
SMILESFCCNc1nc2ccc(Br)cc2s1
InChIInChI=1S/C9H8BrFN2S/c10-6-1-2-7-8(5-6)14-9(13-7)12-4-3-11/h1-2,5H,3-4H2,(H,12,13)
InChIKeyQUKYFPCCVQWLBV-UHFFFAOYSA-N
XLogP3.44
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.15
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-(2-fluoroethyl)-1,3-benzothiazol-2-amine?
The IUPAC name of 6-bromo-N-(2-fluoroethyl)-1,3-benzothiazol-2-amine (CID 59283069) is 6-bromo-N-(2-fluoroethyl)-1,3-benzothiazol-2-amine.
What is the SMILES notation for 6-bromo-N-(2-fluoroethyl)-1,3-benzothiazol-2-amine?
The canonical SMILES for 6-bromo-N-(2-fluoroethyl)-1,3-benzothiazol-2-amine is FCCNc1nc2ccc(Br)cc2s1.
What is the InChIKey of 6-bromo-N-(2-fluoroethyl)-1,3-benzothiazol-2-amine?
The InChIKey is QUKYFPCCVQWLBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrFN2S/c10-6-1-2-7-8(5-6)14-9(13-7)12-4-3-11/h1-2,5H,3-4H2,(H,12,13).
What are the key properties of 6-bromo-N-(2-fluoroethyl)-1,3-benzothiazol-2-amine?
6-bromo-N-(2-fluoroethyl)-1,3-benzothiazol-2-amine has a molecular weight of 275.15 g/mol, XLogP of 3.44, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-(2-fluoroethyl)-1,3-benzothiazol-2-amine is sourced from PubChem (CID 59283069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).