2-[4-(6-fluoro-1,3-benzothiazol-2-yl)triazol-1-yl]ethanamine

C11H10FN5S — CID 79147707

IUPAC2-[4-(6-fluoro-1,3-benzothiazol-2-yl)triazol-1-yl]ethanamine
SMILESNCCn1cc(-c2nc3ccc(F)cc3s2)nn1
InChIInChI=1S/C11H10FN5S/c12-7-1-2-8-10(5-7)18-11(14-8)9-6-17(4-3-13)16-15-9/h1-2,5-6H,3-4,13H2
InChIKeyDWIYGGSVSZBWJC-UHFFFAOYSA-N
MW263.30 g/mol
LogP1.65
Rot. Bonds3

About 2-[4-(6-fluoro-1,3-benzothiazol-2-yl)triazol-1-yl]ethanamine

2-[4-(6-fluoro-1,3-benzothiazol-2-yl)triazol-1-yl]ethanamine (PubChem CID 79147707) has the molecular formula C11H10FN5S and a molecular weight of 263.30 g/mol. Its IUPAC name is 2-[4-(6-fluoro-1,3-benzothiazol-2-yl)triazol-1-yl]ethanamine.

Molecular Properties

Compound Name2-[4-(6-fluoro-1,3-benzothiazol-2-yl)triazol-1-yl]ethanamine
PubChem CID79147707
Molecular FormulaC11H10FN5S
Molecular Weight263.30 g/mol
Exact Mass263.06
IUPAC Name2-[4-(6-fluoro-1,3-benzothiazol-2-yl)triazol-1-yl]ethanamine
SMILESNCCn1cc(-c2nc3ccc(F)cc3s2)nn1
InChIInChI=1S/C11H10FN5S/c12-7-1-2-8-10(5-7)18-11(14-8)9-6-17(4-3-13)16-15-9/h1-2,5-6H,3-4,13H2
InChIKeyDWIYGGSVSZBWJC-UHFFFAOYSA-N
XLogP1.65
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(6-fluoro-1,3-benzothiazol-2-yl)triazol-1-yl]ethanamine?
The IUPAC name of 2-[4-(6-fluoro-1,3-benzothiazol-2-yl)triazol-1-yl]ethanamine (CID 79147707) is 2-[4-(6-fluoro-1,3-benzothiazol-2-yl)triazol-1-yl]ethanamine.
What is the SMILES notation for 2-[4-(6-fluoro-1,3-benzothiazol-2-yl)triazol-1-yl]ethanamine?
The canonical SMILES for 2-[4-(6-fluoro-1,3-benzothiazol-2-yl)triazol-1-yl]ethanamine is NCCn1cc(-c2nc3ccc(F)cc3s2)nn1.
What is the InChIKey of 2-[4-(6-fluoro-1,3-benzothiazol-2-yl)triazol-1-yl]ethanamine?
The InChIKey is DWIYGGSVSZBWJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FN5S/c12-7-1-2-8-10(5-7)18-11(14-8)9-6-17(4-3-13)16-15-9/h1-2,5-6H,3-4,13H2.
What are the key properties of 2-[4-(6-fluoro-1,3-benzothiazol-2-yl)triazol-1-yl]ethanamine?
2-[4-(6-fluoro-1,3-benzothiazol-2-yl)triazol-1-yl]ethanamine has a molecular weight of 263.30 g/mol, XLogP of 1.65, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(6-fluoro-1,3-benzothiazol-2-yl)triazol-1-yl]ethanamine is sourced from PubChem (CID 79147707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).