5-fluoro-N-(4-pyrazin-2-yloxyphenyl)-1,3-benzothiazol-2-amine

C17H11FN4OS — CID 59351231

IUPAC5-fluoro-N-(4-pyrazin-2-yloxyphenyl)-1,3-benzothiazol-2-amine
SMILESFc1ccc2sc(Nc3ccc(Oc4cnccn4)cc3)nc2c1
InChIInChI=1S/C17H11FN4OS/c18-11-1-6-15-14(9-11)22-17(24-15)21-12-2-4-13(5-3-12)23-16-10-19-7-8-20-16/h1-10H,(H,21,22)
InChIKeyQSDGSLXMILIOLA-UHFFFAOYSA-N
MW338.37 g/mol
LogP4.76
Rot. Bonds4

About 5-fluoro-N-(4-pyrazin-2-yloxyphenyl)-1,3-benzothiazol-2-amine

5-fluoro-N-(4-pyrazin-2-yloxyphenyl)-1,3-benzothiazol-2-amine (PubChem CID 59351231) has the molecular formula C17H11FN4OS and a molecular weight of 338.37 g/mol. Its IUPAC name is 5-fluoro-N-(4-pyrazin-2-yloxyphenyl)-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name5-fluoro-N-(4-pyrazin-2-yloxyphenyl)-1,3-benzothiazol-2-amine
PubChem CID59351231
Molecular FormulaC17H11FN4OS
Molecular Weight338.37 g/mol
Exact Mass338.06
IUPAC Name5-fluoro-N-(4-pyrazin-2-yloxyphenyl)-1,3-benzothiazol-2-amine
SMILESFc1ccc2sc(Nc3ccc(Oc4cnccn4)cc3)nc2c1
InChIInChI=1S/C17H11FN4OS/c18-11-1-6-15-14(9-11)22-17(24-15)21-12-2-4-13(5-3-12)23-16-10-19-7-8-20-16/h1-10H,(H,21,22)
InChIKeyQSDGSLXMILIOLA-UHFFFAOYSA-N
XLogP4.76
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.37
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-(4-pyrazin-2-yloxyphenyl)-1,3-benzothiazol-2-amine?
The IUPAC name of 5-fluoro-N-(4-pyrazin-2-yloxyphenyl)-1,3-benzothiazol-2-amine (CID 59351231) is 5-fluoro-N-(4-pyrazin-2-yloxyphenyl)-1,3-benzothiazol-2-amine.
What is the SMILES notation for 5-fluoro-N-(4-pyrazin-2-yloxyphenyl)-1,3-benzothiazol-2-amine?
The canonical SMILES for 5-fluoro-N-(4-pyrazin-2-yloxyphenyl)-1,3-benzothiazol-2-amine is Fc1ccc2sc(Nc3ccc(Oc4cnccn4)cc3)nc2c1.
What is the InChIKey of 5-fluoro-N-(4-pyrazin-2-yloxyphenyl)-1,3-benzothiazol-2-amine?
The InChIKey is QSDGSLXMILIOLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11FN4OS/c18-11-1-6-15-14(9-11)22-17(24-15)21-12-2-4-13(5-3-12)23-16-10-19-7-8-20-16/h1-10H,(H,21,22).
What are the key properties of 5-fluoro-N-(4-pyrazin-2-yloxyphenyl)-1,3-benzothiazol-2-amine?
5-fluoro-N-(4-pyrazin-2-yloxyphenyl)-1,3-benzothiazol-2-amine has a molecular weight of 338.37 g/mol, XLogP of 4.76, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-(4-pyrazin-2-yloxyphenyl)-1,3-benzothiazol-2-amine is sourced from PubChem (CID 59351231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).