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

C8H5F3N2S — CID 2735955

IUPAC6-(trifluoromethyl)-1,3-benzothiazol-2-amine
SMILESNc1nc2ccc(C(F)(F)F)cc2s1
InChIInChI=1S/C8H5F3N2S/c9-8(10,11)4-1-2-5-6(3-4)14-7(12)13-5/h1-3H,(H2,12,13)
InChIKeyWEDYEBJLWMPPOK-UHFFFAOYSA-N
MW218.20 g/mol
LogP2.90
Rot. Bonds

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

6-(trifluoromethyl)-1,3-benzothiazol-2-amine (PubChem CID 2735955) has the molecular formula C8H5F3N2S and a molecular weight of 218.20 g/mol. Its IUPAC name is 6-(trifluoromethyl)-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name6-(trifluoromethyl)-1,3-benzothiazol-2-amine
PubChem CID2735955
Molecular FormulaC8H5F3N2S
Molecular Weight218.20 g/mol
Exact Mass218.01
IUPAC Name6-(trifluoromethyl)-1,3-benzothiazol-2-amine
SMILESNc1nc2ccc(C(F)(F)F)cc2s1
InChIInChI=1S/C8H5F3N2S/c9-8(10,11)4-1-2-5-6(3-4)14-7(12)13-5/h1-3H,(H2,12,13)
InChIKeyWEDYEBJLWMPPOK-UHFFFAOYSA-N
XLogP2.90
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.20
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(trifluoromethyl)-1,3-benzothiazol-2-amine?
The IUPAC name of 6-(trifluoromethyl)-1,3-benzothiazol-2-amine (CID 2735955) is 6-(trifluoromethyl)-1,3-benzothiazol-2-amine.
What is the SMILES notation for 6-(trifluoromethyl)-1,3-benzothiazol-2-amine?
The canonical SMILES for 6-(trifluoromethyl)-1,3-benzothiazol-2-amine is Nc1nc2ccc(C(F)(F)F)cc2s1.
What is the InChIKey of 6-(trifluoromethyl)-1,3-benzothiazol-2-amine?
The InChIKey is WEDYEBJLWMPPOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F3N2S/c9-8(10,11)4-1-2-5-6(3-4)14-7(12)13-5/h1-3H,(H2,12,13).
What are the key properties of 6-(trifluoromethyl)-1,3-benzothiazol-2-amine?
6-(trifluoromethyl)-1,3-benzothiazol-2-amine has a molecular weight of 218.20 g/mol, XLogP of 2.90, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(trifluoromethyl)-1,3-benzothiazol-2-amine is sourced from PubChem (CID 2735955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).