7-bromo-6-fluoro-2-propyl-1,3-benzothiazole

C10H9BrFNS — CID 145415195

IUPAC7-bromo-6-fluoro-2-propyl-1,3-benzothiazole
SMILESCCCc1nc2ccc(F)c(Br)c2s1
InChIInChI=1S/C10H9BrFNS/c1-2-3-8-13-7-5-4-6(12)9(11)10(7)14-8/h4-5H,2-3H2,1H3
InChIKeyJFHTXTNZIKFZEY-UHFFFAOYSA-N
MW274.16 g/mol
LogP4.15
Rot. Bonds2

About 7-bromo-6-fluoro-2-propyl-1,3-benzothiazole

7-bromo-6-fluoro-2-propyl-1,3-benzothiazole (PubChem CID 145415195) has the molecular formula C10H9BrFNS and a molecular weight of 274.16 g/mol. Its IUPAC name is 7-bromo-6-fluoro-2-propyl-1,3-benzothiazole.

Molecular Properties

Compound Name7-bromo-6-fluoro-2-propyl-1,3-benzothiazole
PubChem CID145415195
Molecular FormulaC10H9BrFNS
Molecular Weight274.16 g/mol
Exact Mass272.96
IUPAC Name7-bromo-6-fluoro-2-propyl-1,3-benzothiazole
SMILESCCCc1nc2ccc(F)c(Br)c2s1
InChIInChI=1S/C10H9BrFNS/c1-2-3-8-13-7-5-4-6(12)9(11)10(7)14-8/h4-5H,2-3H2,1H3
InChIKeyJFHTXTNZIKFZEY-UHFFFAOYSA-N
XLogP4.15
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.16
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-6-fluoro-2-propyl-1,3-benzothiazole?
The IUPAC name of 7-bromo-6-fluoro-2-propyl-1,3-benzothiazole (CID 145415195) is 7-bromo-6-fluoro-2-propyl-1,3-benzothiazole.
What is the SMILES notation for 7-bromo-6-fluoro-2-propyl-1,3-benzothiazole?
The canonical SMILES for 7-bromo-6-fluoro-2-propyl-1,3-benzothiazole is CCCc1nc2ccc(F)c(Br)c2s1.
What is the InChIKey of 7-bromo-6-fluoro-2-propyl-1,3-benzothiazole?
The InChIKey is JFHTXTNZIKFZEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrFNS/c1-2-3-8-13-7-5-4-6(12)9(11)10(7)14-8/h4-5H,2-3H2,1H3.
What are the key properties of 7-bromo-6-fluoro-2-propyl-1,3-benzothiazole?
7-bromo-6-fluoro-2-propyl-1,3-benzothiazole has a molecular weight of 274.16 g/mol, XLogP of 4.15, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-6-fluoro-2-propyl-1,3-benzothiazole is sourced from PubChem (CID 145415195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).