6-(2,2,2-trifluoroethoxy)-1,3-benzothiazol-2-amine

C9H7F3N2OS — CID 10562485

IUPAC6-(2,2,2-trifluoroethoxy)-1,3-benzothiazol-2-amine
SMILESNc1nc2ccc(OCC(F)(F)F)cc2s1
InChIInChI=1S/C9H7F3N2OS/c10-9(11,12)4-15-5-1-2-6-7(3-5)16-8(13)14-6/h1-3H,4H2,(H2,13,14)
InChIKeyAUASPYTYDDWIAM-UHFFFAOYSA-N
MW248.23 g/mol
LogP2.82
Rot. Bonds2

About 6-(2,2,2-trifluoroethoxy)-1,3-benzothiazol-2-amine

6-(2,2,2-trifluoroethoxy)-1,3-benzothiazol-2-amine (PubChem CID 10562485) has the molecular formula C9H7F3N2OS and a molecular weight of 248.23 g/mol. Its IUPAC name is 6-(2,2,2-trifluoroethoxy)-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name6-(2,2,2-trifluoroethoxy)-1,3-benzothiazol-2-amine
PubChem CID10562485
Molecular FormulaC9H7F3N2OS
Molecular Weight248.23 g/mol
Exact Mass248.02
IUPAC Name6-(2,2,2-trifluoroethoxy)-1,3-benzothiazol-2-amine
SMILESNc1nc2ccc(OCC(F)(F)F)cc2s1
InChIInChI=1S/C9H7F3N2OS/c10-9(11,12)4-15-5-1-2-6-7(3-5)16-8(13)14-6/h1-3H,4H2,(H2,13,14)
InChIKeyAUASPYTYDDWIAM-UHFFFAOYSA-N
XLogP2.82
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.23
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(2,2,2-trifluoroethoxy)-1,3-benzothiazol-2-amine?
The IUPAC name of 6-(2,2,2-trifluoroethoxy)-1,3-benzothiazol-2-amine (CID 10562485) is 6-(2,2,2-trifluoroethoxy)-1,3-benzothiazol-2-amine.
What is the SMILES notation for 6-(2,2,2-trifluoroethoxy)-1,3-benzothiazol-2-amine?
The canonical SMILES for 6-(2,2,2-trifluoroethoxy)-1,3-benzothiazol-2-amine is Nc1nc2ccc(OCC(F)(F)F)cc2s1.
What is the InChIKey of 6-(2,2,2-trifluoroethoxy)-1,3-benzothiazol-2-amine?
The InChIKey is AUASPYTYDDWIAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F3N2OS/c10-9(11,12)4-15-5-1-2-6-7(3-5)16-8(13)14-6/h1-3H,4H2,(H2,13,14).
What are the key properties of 6-(2,2,2-trifluoroethoxy)-1,3-benzothiazol-2-amine?
6-(2,2,2-trifluoroethoxy)-1,3-benzothiazol-2-amine has a molecular weight of 248.23 g/mol, XLogP of 2.82, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,2,2-trifluoroethoxy)-1,3-benzothiazol-2-amine is sourced from PubChem (CID 10562485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).