6-fluoro-2-methoxy-1,3-benzothiazol-7-amine

C8H7FN2OS — CID 5076812

IUPAC6-fluoro-2-methoxy-1,3-benzothiazol-7-amine
SMILESCOc1nc2ccc(F)c(N)c2s1
InChIInChI=1S/C8H7FN2OS/c1-12-8-11-5-3-2-4(9)6(10)7(5)13-8/h2-3H,10H2,1H3
InChIKeyOINLIXMIUIEYMH-UHFFFAOYSA-N
MW198.22 g/mol
LogP2.03
Rot. Bonds1

About 6-fluoro-2-methoxy-1,3-benzothiazol-7-amine

6-fluoro-2-methoxy-1,3-benzothiazol-7-amine (PubChem CID 5076812) has the molecular formula C8H7FN2OS and a molecular weight of 198.22 g/mol. Its IUPAC name is 6-fluoro-2-methoxy-1,3-benzothiazol-7-amine.

Molecular Properties

Compound Name6-fluoro-2-methoxy-1,3-benzothiazol-7-amine
PubChem CID5076812
Molecular FormulaC8H7FN2OS
Molecular Weight198.22 g/mol
Exact Mass198.03
IUPAC Name6-fluoro-2-methoxy-1,3-benzothiazol-7-amine
SMILESCOc1nc2ccc(F)c(N)c2s1
InChIInChI=1S/C8H7FN2OS/c1-12-8-11-5-3-2-4(9)6(10)7(5)13-8/h2-3H,10H2,1H3
InChIKeyOINLIXMIUIEYMH-UHFFFAOYSA-N
XLogP2.03
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-2-methoxy-1,3-benzothiazol-7-amine?
The IUPAC name of 6-fluoro-2-methoxy-1,3-benzothiazol-7-amine (CID 5076812) is 6-fluoro-2-methoxy-1,3-benzothiazol-7-amine.
What is the SMILES notation for 6-fluoro-2-methoxy-1,3-benzothiazol-7-amine?
The canonical SMILES for 6-fluoro-2-methoxy-1,3-benzothiazol-7-amine is COc1nc2ccc(F)c(N)c2s1.
What is the InChIKey of 6-fluoro-2-methoxy-1,3-benzothiazol-7-amine?
The InChIKey is OINLIXMIUIEYMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7FN2OS/c1-12-8-11-5-3-2-4(9)6(10)7(5)13-8/h2-3H,10H2,1H3.
What are the key properties of 6-fluoro-2-methoxy-1,3-benzothiazol-7-amine?
6-fluoro-2-methoxy-1,3-benzothiazol-7-amine has a molecular weight of 198.22 g/mol, XLogP of 2.03, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-2-methoxy-1,3-benzothiazol-7-amine is sourced from PubChem (CID 5076812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).