5-fluoro-6-methyl-1,3-benzothiazole;propane

C11H14FNS — CID 143386612

IUPAC5-fluoro-6-methyl-1,3-benzothiazole;propane
SMILESCCC.Cc1cc2scnc2cc1F
InChIInChI=1S/C8H6FNS.C3H8/c1-5-2-8-7(3-6(5)9)10-4-11-8;1-3-2/h2-4H,1H3;3H2,1-2H3
InChIKeyQCGRABHCWHRMML-UHFFFAOYSA-N
MW211.30 g/mol
LogP4.16
Rot. Bonds

About 5-fluoro-6-methyl-1,3-benzothiazole;propane

5-fluoro-6-methyl-1,3-benzothiazole;propane (PubChem CID 143386612) has the molecular formula C11H14FNS and a molecular weight of 211.30 g/mol. Its IUPAC name is 5-fluoro-6-methyl-1,3-benzothiazole;propane.

Molecular Properties

Compound Name5-fluoro-6-methyl-1,3-benzothiazole;propane
PubChem CID143386612
Molecular FormulaC11H14FNS
Molecular Weight211.30 g/mol
Exact Mass211.08
IUPAC Name5-fluoro-6-methyl-1,3-benzothiazole;propane
SMILESCCC.Cc1cc2scnc2cc1F
InChIInChI=1S/C8H6FNS.C3H8/c1-5-2-8-7(3-6(5)9)10-4-11-8;1-3-2/h2-4H,1H3;3H2,1-2H3
InChIKeyQCGRABHCWHRMML-UHFFFAOYSA-N
XLogP4.16
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.30
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-6-methyl-1,3-benzothiazole;propane?
The IUPAC name of 5-fluoro-6-methyl-1,3-benzothiazole;propane (CID 143386612) is 5-fluoro-6-methyl-1,3-benzothiazole;propane.
What is the SMILES notation for 5-fluoro-6-methyl-1,3-benzothiazole;propane?
The canonical SMILES for 5-fluoro-6-methyl-1,3-benzothiazole;propane is CCC.Cc1cc2scnc2cc1F.
What is the InChIKey of 5-fluoro-6-methyl-1,3-benzothiazole;propane?
The InChIKey is QCGRABHCWHRMML-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6FNS.C3H8/c1-5-2-8-7(3-6(5)9)10-4-11-8;1-3-2/h2-4H,1H3;3H2,1-2H3.
What are the key properties of 5-fluoro-6-methyl-1,3-benzothiazole;propane?
5-fluoro-6-methyl-1,3-benzothiazole;propane has a molecular weight of 211.30 g/mol, XLogP of 4.16, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-6-methyl-1,3-benzothiazole;propane is sourced from PubChem (CID 143386612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).