4-(6-fluoro-1,3-benzothiazol-2-yl)-N-methylaniline

C14H11FN2S — CID 46207982

IUPAC4-(6-fluoro-1,3-benzothiazol-2-yl)-N-methylaniline
SMILESCNc1ccc(-c2nc3ccc(F)cc3s2)cc1
InChIInChI=1S/C14H11FN2S/c1-16-11-5-2-9(3-6-11)14-17-12-7-4-10(15)8-13(12)18-14/h2-8,16H,1H3
InChIKeyQLWFXLJVGCECSV-UHFFFAOYSA-N
MW258.32 g/mol
LogP4.14
Rot. Bonds2

About 4-(6-fluoro-1,3-benzothiazol-2-yl)-N-methylaniline

4-(6-fluoro-1,3-benzothiazol-2-yl)-N-methylaniline (PubChem CID 46207982) has the molecular formula C14H11FN2S and a molecular weight of 258.32 g/mol. Its IUPAC name is 4-(6-fluoro-1,3-benzothiazol-2-yl)-N-methylaniline.

Molecular Properties

Compound Name4-(6-fluoro-1,3-benzothiazol-2-yl)-N-methylaniline
PubChem CID46207982
Molecular FormulaC14H11FN2S
Molecular Weight258.32 g/mol
Exact Mass258.06
IUPAC Name4-(6-fluoro-1,3-benzothiazol-2-yl)-N-methylaniline
SMILESCNc1ccc(-c2nc3ccc(F)cc3s2)cc1
InChIInChI=1S/C14H11FN2S/c1-16-11-5-2-9(3-6-11)14-17-12-7-4-10(15)8-13(12)18-14/h2-8,16H,1H3
InChIKeyQLWFXLJVGCECSV-UHFFFAOYSA-N
XLogP4.14
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(6-fluoro-1,3-benzothiazol-2-yl)-N-methylaniline?
The IUPAC name of 4-(6-fluoro-1,3-benzothiazol-2-yl)-N-methylaniline (CID 46207982) is 4-(6-fluoro-1,3-benzothiazol-2-yl)-N-methylaniline.
What is the SMILES notation for 4-(6-fluoro-1,3-benzothiazol-2-yl)-N-methylaniline?
The canonical SMILES for 4-(6-fluoro-1,3-benzothiazol-2-yl)-N-methylaniline is CNc1ccc(-c2nc3ccc(F)cc3s2)cc1.
What is the InChIKey of 4-(6-fluoro-1,3-benzothiazol-2-yl)-N-methylaniline?
The InChIKey is QLWFXLJVGCECSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FN2S/c1-16-11-5-2-9(3-6-11)14-17-12-7-4-10(15)8-13(12)18-14/h2-8,16H,1H3.
What are the key properties of 4-(6-fluoro-1,3-benzothiazol-2-yl)-N-methylaniline?
4-(6-fluoro-1,3-benzothiazol-2-yl)-N-methylaniline has a molecular weight of 258.32 g/mol, XLogP of 4.14, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-fluoro-1,3-benzothiazol-2-yl)-N-methylaniline is sourced from PubChem (CID 46207982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).