6-bromo-5,7-difluoro-1,3-benzothiazol-2-amine

C7H3BrF2N2S — CID 26597119

IUPAC6-bromo-5,7-difluoro-1,3-benzothiazol-2-amine
SMILESNc1nc2cc(F)c(Br)c(F)c2s1
InChIInChI=1S/C7H3BrF2N2S/c8-4-2(9)1-3-6(5(4)10)13-7(11)12-3/h1H,(H2,11,12)
InChIKeyCBPDGHHPFIGTAP-UHFFFAOYSA-N
MW265.08 g/mol
LogP2.92
Rot. Bonds

About 6-bromo-5,7-difluoro-1,3-benzothiazol-2-amine

6-bromo-5,7-difluoro-1,3-benzothiazol-2-amine (PubChem CID 26597119) has the molecular formula C7H3BrF2N2S and a molecular weight of 265.08 g/mol. Its IUPAC name is 6-bromo-5,7-difluoro-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name6-bromo-5,7-difluoro-1,3-benzothiazol-2-amine
PubChem CID26597119
Molecular FormulaC7H3BrF2N2S
Molecular Weight265.08 g/mol
Exact Mass263.92
IUPAC Name6-bromo-5,7-difluoro-1,3-benzothiazol-2-amine
SMILESNc1nc2cc(F)c(Br)c(F)c2s1
InChIInChI=1S/C7H3BrF2N2S/c8-4-2(9)1-3-6(5(4)10)13-7(11)12-3/h1H,(H2,11,12)
InChIKeyCBPDGHHPFIGTAP-UHFFFAOYSA-N
XLogP2.92
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.08
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-5,7-difluoro-1,3-benzothiazol-2-amine?
The IUPAC name of 6-bromo-5,7-difluoro-1,3-benzothiazol-2-amine (CID 26597119) is 6-bromo-5,7-difluoro-1,3-benzothiazol-2-amine.
What is the SMILES notation for 6-bromo-5,7-difluoro-1,3-benzothiazol-2-amine?
The canonical SMILES for 6-bromo-5,7-difluoro-1,3-benzothiazol-2-amine is Nc1nc2cc(F)c(Br)c(F)c2s1.
What is the InChIKey of 6-bromo-5,7-difluoro-1,3-benzothiazol-2-amine?
The InChIKey is CBPDGHHPFIGTAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3BrF2N2S/c8-4-2(9)1-3-6(5(4)10)13-7(11)12-3/h1H,(H2,11,12).
What are the key properties of 6-bromo-5,7-difluoro-1,3-benzothiazol-2-amine?
6-bromo-5,7-difluoro-1,3-benzothiazol-2-amine has a molecular weight of 265.08 g/mol, XLogP of 2.92, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-5,7-difluoro-1,3-benzothiazol-2-amine is sourced from PubChem (CID 26597119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).