7-bromo-2-ethyl-5-fluoro-1,3-benzothiazole

C9H7BrFNS — CID 130063505

IUPAC7-bromo-2-ethyl-5-fluoro-1,3-benzothiazole
SMILESCCc1nc2cc(F)cc(Br)c2s1
InChIInChI=1S/C9H7BrFNS/c1-2-8-12-7-4-5(11)3-6(10)9(7)13-8/h3-4H,2H2,1H3
InChIKeySXVYJRSJCHPVRG-UHFFFAOYSA-N
MW260.13 g/mol
LogP3.76
Rot. Bonds1

About 7-bromo-2-ethyl-5-fluoro-1,3-benzothiazole

7-bromo-2-ethyl-5-fluoro-1,3-benzothiazole (PubChem CID 130063505) has the molecular formula C9H7BrFNS and a molecular weight of 260.13 g/mol. Its IUPAC name is 7-bromo-2-ethyl-5-fluoro-1,3-benzothiazole.

Molecular Properties

Compound Name7-bromo-2-ethyl-5-fluoro-1,3-benzothiazole
PubChem CID130063505
Molecular FormulaC9H7BrFNS
Molecular Weight260.13 g/mol
Exact Mass258.95
IUPAC Name7-bromo-2-ethyl-5-fluoro-1,3-benzothiazole
SMILESCCc1nc2cc(F)cc(Br)c2s1
InChIInChI=1S/C9H7BrFNS/c1-2-8-12-7-4-5(11)3-6(10)9(7)13-8/h3-4H,2H2,1H3
InChIKeySXVYJRSJCHPVRG-UHFFFAOYSA-N
XLogP3.76
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.13
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-2-ethyl-5-fluoro-1,3-benzothiazole?
The IUPAC name of 7-bromo-2-ethyl-5-fluoro-1,3-benzothiazole (CID 130063505) is 7-bromo-2-ethyl-5-fluoro-1,3-benzothiazole.
What is the SMILES notation for 7-bromo-2-ethyl-5-fluoro-1,3-benzothiazole?
The canonical SMILES for 7-bromo-2-ethyl-5-fluoro-1,3-benzothiazole is CCc1nc2cc(F)cc(Br)c2s1.
What is the InChIKey of 7-bromo-2-ethyl-5-fluoro-1,3-benzothiazole?
The InChIKey is SXVYJRSJCHPVRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrFNS/c1-2-8-12-7-4-5(11)3-6(10)9(7)13-8/h3-4H,2H2,1H3.
What are the key properties of 7-bromo-2-ethyl-5-fluoro-1,3-benzothiazole?
7-bromo-2-ethyl-5-fluoro-1,3-benzothiazole has a molecular weight of 260.13 g/mol, XLogP of 3.76, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-2-ethyl-5-fluoro-1,3-benzothiazole is sourced from PubChem (CID 130063505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).