6-tert-butyl-4-fluoro-1,3-benzothiazole

C11H12FNS — CID 134416548

IUPAC6-tert-butyl-4-fluoro-1,3-benzothiazole
SMILESCC(C)(C)c1cc(F)c2ncsc2c1
InChIInChI=1S/C11H12FNS/c1-11(2,3)7-4-8(12)10-9(5-7)14-6-13-10/h4-6H,1-3H3
InChIKeyGZXUNGLLIJATBZ-UHFFFAOYSA-N
MW209.29 g/mol
LogP3.73
Rot. Bonds

About 6-tert-butyl-4-fluoro-1,3-benzothiazole

6-tert-butyl-4-fluoro-1,3-benzothiazole (PubChem CID 134416548) has the molecular formula C11H12FNS and a molecular weight of 209.29 g/mol. Its IUPAC name is 6-tert-butyl-4-fluoro-1,3-benzothiazole.

Molecular Properties

Compound Name6-tert-butyl-4-fluoro-1,3-benzothiazole
PubChem CID134416548
Molecular FormulaC11H12FNS
Molecular Weight209.29 g/mol
Exact Mass209.07
IUPAC Name6-tert-butyl-4-fluoro-1,3-benzothiazole
SMILESCC(C)(C)c1cc(F)c2ncsc2c1
InChIInChI=1S/C11H12FNS/c1-11(2,3)7-4-8(12)10-9(5-7)14-6-13-10/h4-6H,1-3H3
InChIKeyGZXUNGLLIJATBZ-UHFFFAOYSA-N
XLogP3.73
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-4-fluoro-1,3-benzothiazole?
The IUPAC name of 6-tert-butyl-4-fluoro-1,3-benzothiazole (CID 134416548) is 6-tert-butyl-4-fluoro-1,3-benzothiazole.
What is the SMILES notation for 6-tert-butyl-4-fluoro-1,3-benzothiazole?
The canonical SMILES for 6-tert-butyl-4-fluoro-1,3-benzothiazole is CC(C)(C)c1cc(F)c2ncsc2c1.
What is the InChIKey of 6-tert-butyl-4-fluoro-1,3-benzothiazole?
The InChIKey is GZXUNGLLIJATBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FNS/c1-11(2,3)7-4-8(12)10-9(5-7)14-6-13-10/h4-6H,1-3H3.
What are the key properties of 6-tert-butyl-4-fluoro-1,3-benzothiazole?
6-tert-butyl-4-fluoro-1,3-benzothiazole has a molecular weight of 209.29 g/mol, XLogP of 3.73, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-4-fluoro-1,3-benzothiazole is sourced from PubChem (CID 134416548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).