4-(trifluoromethoxy)-1,3-benzothiazol-2-amine

C8H5F3N2OS — CID 10633417

IUPAC4-(trifluoromethoxy)-1,3-benzothiazol-2-amine
SMILESNc1nc2c(OC(F)(F)F)cccc2s1
InChIInChI=1S/C8H5F3N2OS/c9-8(10,11)14-4-2-1-3-5-6(4)13-7(12)15-5/h1-3H,(H2,12,13)
InChIKeyYSURRMGJTOKALN-UHFFFAOYSA-N
MW234.20 g/mol
LogP2.78
Rot. Bonds1

About 4-(trifluoromethoxy)-1,3-benzothiazol-2-amine

4-(trifluoromethoxy)-1,3-benzothiazol-2-amine (PubChem CID 10633417) has the molecular formula C8H5F3N2OS and a molecular weight of 234.20 g/mol. Its IUPAC name is 4-(trifluoromethoxy)-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name4-(trifluoromethoxy)-1,3-benzothiazol-2-amine
PubChem CID10633417
Molecular FormulaC8H5F3N2OS
Molecular Weight234.20 g/mol
Exact Mass234.01
IUPAC Name4-(trifluoromethoxy)-1,3-benzothiazol-2-amine
SMILESNc1nc2c(OC(F)(F)F)cccc2s1
InChIInChI=1S/C8H5F3N2OS/c9-8(10,11)14-4-2-1-3-5-6(4)13-7(12)15-5/h1-3H,(H2,12,13)
InChIKeyYSURRMGJTOKALN-UHFFFAOYSA-N
XLogP2.78
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.20
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(trifluoromethoxy)-1,3-benzothiazol-2-amine?
The IUPAC name of 4-(trifluoromethoxy)-1,3-benzothiazol-2-amine (CID 10633417) is 4-(trifluoromethoxy)-1,3-benzothiazol-2-amine.
What is the SMILES notation for 4-(trifluoromethoxy)-1,3-benzothiazol-2-amine?
The canonical SMILES for 4-(trifluoromethoxy)-1,3-benzothiazol-2-amine is Nc1nc2c(OC(F)(F)F)cccc2s1.
What is the InChIKey of 4-(trifluoromethoxy)-1,3-benzothiazol-2-amine?
The InChIKey is YSURRMGJTOKALN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F3N2OS/c9-8(10,11)14-4-2-1-3-5-6(4)13-7(12)15-5/h1-3H,(H2,12,13).
What are the key properties of 4-(trifluoromethoxy)-1,3-benzothiazol-2-amine?
4-(trifluoromethoxy)-1,3-benzothiazol-2-amine has a molecular weight of 234.20 g/mol, XLogP of 2.78, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(trifluoromethoxy)-1,3-benzothiazol-2-amine is sourced from PubChem (CID 10633417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).