4-fluoro-2,6-dimethyl-2,3-dihydro-1,3-benzothiazole

C9H10FNS — CID 90155186

IUPAC4-fluoro-2,6-dimethyl-2,3-dihydro-1,3-benzothiazole
SMILESCc1cc(F)c2c(c1)SC(C)N2
InChIInChI=1S/C9H10FNS/c1-5-3-7(10)9-8(4-5)12-6(2)11-9/h3-4,6,11H,1-2H3
InChIKeyCABDFPZGFMNCOM-UHFFFAOYSA-N
MW183.25 g/mol
LogP3.00
Rot. Bonds

About 4-fluoro-2,6-dimethyl-2,3-dihydro-1,3-benzothiazole

4-fluoro-2,6-dimethyl-2,3-dihydro-1,3-benzothiazole (PubChem CID 90155186) has the molecular formula C9H10FNS and a molecular weight of 183.25 g/mol. Its IUPAC name is 4-fluoro-2,6-dimethyl-2,3-dihydro-1,3-benzothiazole.

Molecular Properties

Compound Name4-fluoro-2,6-dimethyl-2,3-dihydro-1,3-benzothiazole
PubChem CID90155186
Molecular FormulaC9H10FNS
Molecular Weight183.25 g/mol
Exact Mass183.05
IUPAC Name4-fluoro-2,6-dimethyl-2,3-dihydro-1,3-benzothiazole
SMILESCc1cc(F)c2c(c1)SC(C)N2
InChIInChI=1S/C9H10FNS/c1-5-3-7(10)9-8(4-5)12-6(2)11-9/h3-4,6,11H,1-2H3
InChIKeyCABDFPZGFMNCOM-UHFFFAOYSA-N
XLogP3.00
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2,6-dimethyl-2,3-dihydro-1,3-benzothiazole?
The IUPAC name of 4-fluoro-2,6-dimethyl-2,3-dihydro-1,3-benzothiazole (CID 90155186) is 4-fluoro-2,6-dimethyl-2,3-dihydro-1,3-benzothiazole.
What is the SMILES notation for 4-fluoro-2,6-dimethyl-2,3-dihydro-1,3-benzothiazole?
The canonical SMILES for 4-fluoro-2,6-dimethyl-2,3-dihydro-1,3-benzothiazole is Cc1cc(F)c2c(c1)SC(C)N2.
What is the InChIKey of 4-fluoro-2,6-dimethyl-2,3-dihydro-1,3-benzothiazole?
The InChIKey is CABDFPZGFMNCOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10FNS/c1-5-3-7(10)9-8(4-5)12-6(2)11-9/h3-4,6,11H,1-2H3.
What are the key properties of 4-fluoro-2,6-dimethyl-2,3-dihydro-1,3-benzothiazole?
4-fluoro-2,6-dimethyl-2,3-dihydro-1,3-benzothiazole has a molecular weight of 183.25 g/mol, XLogP of 3.00, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2,6-dimethyl-2,3-dihydro-1,3-benzothiazole is sourced from PubChem (CID 90155186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).