4-fluoro-7-methyl-1,3-benzothiazol-2-amine

C8H7FN2S — CID 42281874

IUPAC4-fluoro-7-methyl-1,3-benzothiazol-2-amine
SMILESCc1ccc(F)c2nc(N)sc12
InChIInChI=1S/C8H7FN2S/c1-4-2-3-5(9)6-7(4)12-8(10)11-6/h2-3H,1H3,(H2,10,11)
InChIKeyJOQMAUVWIBWRHL-UHFFFAOYSA-N
MW182.22 g/mol
LogP2.33
Rot. Bonds

About 4-fluoro-7-methyl-1,3-benzothiazol-2-amine

4-fluoro-7-methyl-1,3-benzothiazol-2-amine (PubChem CID 42281874) has the molecular formula C8H7FN2S and a molecular weight of 182.22 g/mol. Its IUPAC name is 4-fluoro-7-methyl-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name4-fluoro-7-methyl-1,3-benzothiazol-2-amine
PubChem CID42281874
Molecular FormulaC8H7FN2S
Molecular Weight182.22 g/mol
Exact Mass182.03
IUPAC Name4-fluoro-7-methyl-1,3-benzothiazol-2-amine
SMILESCc1ccc(F)c2nc(N)sc12
InChIInChI=1S/C8H7FN2S/c1-4-2-3-5(9)6-7(4)12-8(10)11-6/h2-3H,1H3,(H2,10,11)
InChIKeyJOQMAUVWIBWRHL-UHFFFAOYSA-N
XLogP2.33
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-7-methyl-1,3-benzothiazol-2-amine?
The IUPAC name of 4-fluoro-7-methyl-1,3-benzothiazol-2-amine (CID 42281874) is 4-fluoro-7-methyl-1,3-benzothiazol-2-amine.
What is the SMILES notation for 4-fluoro-7-methyl-1,3-benzothiazol-2-amine?
The canonical SMILES for 4-fluoro-7-methyl-1,3-benzothiazol-2-amine is Cc1ccc(F)c2nc(N)sc12.
What is the InChIKey of 4-fluoro-7-methyl-1,3-benzothiazol-2-amine?
The InChIKey is JOQMAUVWIBWRHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7FN2S/c1-4-2-3-5(9)6-7(4)12-8(10)11-6/h2-3H,1H3,(H2,10,11).
What are the key properties of 4-fluoro-7-methyl-1,3-benzothiazol-2-amine?
4-fluoro-7-methyl-1,3-benzothiazol-2-amine has a molecular weight of 182.22 g/mol, XLogP of 2.33, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-7-methyl-1,3-benzothiazol-2-amine is sourced from PubChem (CID 42281874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).