2-amino-6-(trifluoromethyl)-1,3-benzothiazol-4-ol

C8H5F3N2OS — CID 11310854

IUPAC2-amino-6-(trifluoromethyl)-1,3-benzothiazol-4-ol
SMILESNc1nc2c(O)cc(C(F)(F)F)cc2s1
InChIInChI=1S/C8H5F3N2OS/c9-8(10,11)3-1-4(14)6-5(2-3)15-7(12)13-6/h1-2,14H,(H2,12,13)
InChIKeyFOSTVXUFHRNFIN-UHFFFAOYSA-N
MW234.20 g/mol
LogP2.60
Rot. Bonds

About 2-amino-6-(trifluoromethyl)-1,3-benzothiazol-4-ol

2-amino-6-(trifluoromethyl)-1,3-benzothiazol-4-ol (PubChem CID 11310854) has the molecular formula C8H5F3N2OS and a molecular weight of 234.20 g/mol. Its IUPAC name is 2-amino-6-(trifluoromethyl)-1,3-benzothiazol-4-ol.

Molecular Properties

Compound Name2-amino-6-(trifluoromethyl)-1,3-benzothiazol-4-ol
PubChem CID11310854
Molecular FormulaC8H5F3N2OS
Molecular Weight234.20 g/mol
Exact Mass234.01
IUPAC Name2-amino-6-(trifluoromethyl)-1,3-benzothiazol-4-ol
SMILESNc1nc2c(O)cc(C(F)(F)F)cc2s1
InChIInChI=1S/C8H5F3N2OS/c9-8(10,11)3-1-4(14)6-5(2-3)15-7(12)13-6/h1-2,14H,(H2,12,13)
InChIKeyFOSTVXUFHRNFIN-UHFFFAOYSA-N
XLogP2.60
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.20
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-6-(trifluoromethyl)-1,3-benzothiazol-4-ol?
The IUPAC name of 2-amino-6-(trifluoromethyl)-1,3-benzothiazol-4-ol (CID 11310854) is 2-amino-6-(trifluoromethyl)-1,3-benzothiazol-4-ol.
What is the SMILES notation for 2-amino-6-(trifluoromethyl)-1,3-benzothiazol-4-ol?
The canonical SMILES for 2-amino-6-(trifluoromethyl)-1,3-benzothiazol-4-ol is Nc1nc2c(O)cc(C(F)(F)F)cc2s1.
What is the InChIKey of 2-amino-6-(trifluoromethyl)-1,3-benzothiazol-4-ol?
The InChIKey is FOSTVXUFHRNFIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F3N2OS/c9-8(10,11)3-1-4(14)6-5(2-3)15-7(12)13-6/h1-2,14H,(H2,12,13).
What are the key properties of 2-amino-6-(trifluoromethyl)-1,3-benzothiazol-4-ol?
2-amino-6-(trifluoromethyl)-1,3-benzothiazol-4-ol has a molecular weight of 234.20 g/mol, XLogP of 2.60, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-(trifluoromethyl)-1,3-benzothiazol-4-ol is sourced from PubChem (CID 11310854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).