5-fluoro-6-methoxy-4-methyl-1,3-benzothiazol-2-amine

C9H9FN2OS — CID 134180398

IUPAC5-fluoro-6-methoxy-4-methyl-1,3-benzothiazol-2-amine
SMILESCOc1cc2sc(N)nc2c(C)c1F
InChIInChI=1S/C9H9FN2OS/c1-4-7(10)5(13-2)3-6-8(4)12-9(11)14-6/h3H,1-2H3,(H2,11,12)
InChIKeyXOSWAVODYQIODL-UHFFFAOYSA-N
MW212.25 g/mol
LogP2.33
Rot. Bonds1

About 5-fluoro-6-methoxy-4-methyl-1,3-benzothiazol-2-amine

5-fluoro-6-methoxy-4-methyl-1,3-benzothiazol-2-amine (PubChem CID 134180398) has the molecular formula C9H9FN2OS and a molecular weight of 212.25 g/mol. Its IUPAC name is 5-fluoro-6-methoxy-4-methyl-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name5-fluoro-6-methoxy-4-methyl-1,3-benzothiazol-2-amine
PubChem CID134180398
Molecular FormulaC9H9FN2OS
Molecular Weight212.25 g/mol
Exact Mass212.04
IUPAC Name5-fluoro-6-methoxy-4-methyl-1,3-benzothiazol-2-amine
SMILESCOc1cc2sc(N)nc2c(C)c1F
InChIInChI=1S/C9H9FN2OS/c1-4-7(10)5(13-2)3-6-8(4)12-9(11)14-6/h3H,1-2H3,(H2,11,12)
InChIKeyXOSWAVODYQIODL-UHFFFAOYSA-N
XLogP2.33
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-6-methoxy-4-methyl-1,3-benzothiazol-2-amine?
The IUPAC name of 5-fluoro-6-methoxy-4-methyl-1,3-benzothiazol-2-amine (CID 134180398) is 5-fluoro-6-methoxy-4-methyl-1,3-benzothiazol-2-amine.
What is the SMILES notation for 5-fluoro-6-methoxy-4-methyl-1,3-benzothiazol-2-amine?
The canonical SMILES for 5-fluoro-6-methoxy-4-methyl-1,3-benzothiazol-2-amine is COc1cc2sc(N)nc2c(C)c1F.
What is the InChIKey of 5-fluoro-6-methoxy-4-methyl-1,3-benzothiazol-2-amine?
The InChIKey is XOSWAVODYQIODL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9FN2OS/c1-4-7(10)5(13-2)3-6-8(4)12-9(11)14-6/h3H,1-2H3,(H2,11,12).
What are the key properties of 5-fluoro-6-methoxy-4-methyl-1,3-benzothiazol-2-amine?
5-fluoro-6-methoxy-4-methyl-1,3-benzothiazol-2-amine has a molecular weight of 212.25 g/mol, XLogP of 2.33, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-6-methoxy-4-methyl-1,3-benzothiazol-2-amine is sourced from PubChem (CID 134180398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).