6-bromo-5-(difluoromethyl)-1,3-benzothiazole

C8H4BrF2NS — CID 91197212

IUPAC6-bromo-5-(difluoromethyl)-1,3-benzothiazole
SMILESFC(F)c1cc2ncsc2cc1Br
InChIInChI=1S/C8H4BrF2NS/c9-5-2-7-6(12-3-13-7)1-4(5)8(10)11/h1-3,8H
InChIKeyZRLQZGGXRDNHNB-UHFFFAOYSA-N
MW264.09 g/mol
LogP4.00
Rot. Bonds1

About 6-bromo-5-(difluoromethyl)-1,3-benzothiazole

6-bromo-5-(difluoromethyl)-1,3-benzothiazole (PubChem CID 91197212) has the molecular formula C8H4BrF2NS and a molecular weight of 264.09 g/mol. Its IUPAC name is 6-bromo-5-(difluoromethyl)-1,3-benzothiazole.

Molecular Properties

Compound Name6-bromo-5-(difluoromethyl)-1,3-benzothiazole
PubChem CID91197212
Molecular FormulaC8H4BrF2NS
Molecular Weight264.09 g/mol
Exact Mass262.92
IUPAC Name6-bromo-5-(difluoromethyl)-1,3-benzothiazole
SMILESFC(F)c1cc2ncsc2cc1Br
InChIInChI=1S/C8H4BrF2NS/c9-5-2-7-6(12-3-13-7)1-4(5)8(10)11/h1-3,8H
InChIKeyZRLQZGGXRDNHNB-UHFFFAOYSA-N
XLogP4.00
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.09
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-5-(difluoromethyl)-1,3-benzothiazole?
The IUPAC name of 6-bromo-5-(difluoromethyl)-1,3-benzothiazole (CID 91197212) is 6-bromo-5-(difluoromethyl)-1,3-benzothiazole.
What is the SMILES notation for 6-bromo-5-(difluoromethyl)-1,3-benzothiazole?
The canonical SMILES for 6-bromo-5-(difluoromethyl)-1,3-benzothiazole is FC(F)c1cc2ncsc2cc1Br.
What is the InChIKey of 6-bromo-5-(difluoromethyl)-1,3-benzothiazole?
The InChIKey is ZRLQZGGXRDNHNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4BrF2NS/c9-5-2-7-6(12-3-13-7)1-4(5)8(10)11/h1-3,8H.
What are the key properties of 6-bromo-5-(difluoromethyl)-1,3-benzothiazole?
6-bromo-5-(difluoromethyl)-1,3-benzothiazole has a molecular weight of 264.09 g/mol, XLogP of 4.00, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-5-(difluoromethyl)-1,3-benzothiazole is sourced from PubChem (CID 91197212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).