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

C8H7FN2S — CID 14517487

IUPAC5-fluoro-6-methyl-1,3-benzothiazol-2-amine
SMILESCc1cc2sc(N)nc2cc1F
InChIInChI=1S/C8H7FN2S/c1-4-2-7-6(3-5(4)9)11-8(10)12-7/h2-3H,1H3,(H2,10,11)
InChIKeyOQQFVEGDEQPCHH-UHFFFAOYSA-N
MW182.22 g/mol
LogP2.33
Rot. Bonds

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

5-fluoro-6-methyl-1,3-benzothiazol-2-amine (PubChem CID 14517487) has the molecular formula C8H7FN2S and a molecular weight of 182.22 g/mol. Its IUPAC name is 5-fluoro-6-methyl-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name5-fluoro-6-methyl-1,3-benzothiazol-2-amine
PubChem CID14517487
Molecular FormulaC8H7FN2S
Molecular Weight182.22 g/mol
Exact Mass182.03
IUPAC Name5-fluoro-6-methyl-1,3-benzothiazol-2-amine
SMILESCc1cc2sc(N)nc2cc1F
InChIInChI=1S/C8H7FN2S/c1-4-2-7-6(3-5(4)9)11-8(10)12-7/h2-3H,1H3,(H2,10,11)
InChIKeyOQQFVEGDEQPCHH-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

Analyze 5-fluoro-6-methyl-1,3-benzothiazol-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-6-methyl-1,3-benzothiazol-2-amine?
The IUPAC name of 5-fluoro-6-methyl-1,3-benzothiazol-2-amine (CID 14517487) is 5-fluoro-6-methyl-1,3-benzothiazol-2-amine.
What is the SMILES notation for 5-fluoro-6-methyl-1,3-benzothiazol-2-amine?
The canonical SMILES for 5-fluoro-6-methyl-1,3-benzothiazol-2-amine is Cc1cc2sc(N)nc2cc1F.
What is the InChIKey of 5-fluoro-6-methyl-1,3-benzothiazol-2-amine?
The InChIKey is OQQFVEGDEQPCHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7FN2S/c1-4-2-7-6(3-5(4)9)11-8(10)12-7/h2-3H,1H3,(H2,10,11).
What are the key properties of 5-fluoro-6-methyl-1,3-benzothiazol-2-amine?
5-fluoro-6-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 5-fluoro-6-methyl-1,3-benzothiazol-2-amine is sourced from PubChem (CID 14517487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).