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

C8H5F3N2OS — CID 70091877

IUPAC2-(trifluoromethoxy)-1,3-benzothiazol-4-amine
SMILESNc1cccc2sc(OC(F)(F)F)nc12
InChIInChI=1S/C8H5F3N2OS/c9-8(10,11)14-7-13-6-4(12)2-1-3-5(6)15-7/h1-3H,12H2
InChIKeyBZFBSUDOSMBGHX-UHFFFAOYSA-N
MW234.20 g/mol
LogP2.78
Rot. Bonds1

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

2-(trifluoromethoxy)-1,3-benzothiazol-4-amine (PubChem CID 70091877) has the molecular formula C8H5F3N2OS and a molecular weight of 234.20 g/mol. Its IUPAC name is 2-(trifluoromethoxy)-1,3-benzothiazol-4-amine.

Molecular Properties

Compound Name2-(trifluoromethoxy)-1,3-benzothiazol-4-amine
PubChem CID70091877
Molecular FormulaC8H5F3N2OS
Molecular Weight234.20 g/mol
Exact Mass234.01
IUPAC Name2-(trifluoromethoxy)-1,3-benzothiazol-4-amine
SMILESNc1cccc2sc(OC(F)(F)F)nc12
InChIInChI=1S/C8H5F3N2OS/c9-8(10,11)14-7-13-6-4(12)2-1-3-5(6)15-7/h1-3H,12H2
InChIKeyBZFBSUDOSMBGHX-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(trifluoromethoxy)-1,3-benzothiazol-4-amine?
The IUPAC name of 2-(trifluoromethoxy)-1,3-benzothiazol-4-amine (CID 70091877) is 2-(trifluoromethoxy)-1,3-benzothiazol-4-amine.
What is the SMILES notation for 2-(trifluoromethoxy)-1,3-benzothiazol-4-amine?
The canonical SMILES for 2-(trifluoromethoxy)-1,3-benzothiazol-4-amine is Nc1cccc2sc(OC(F)(F)F)nc12.
What is the InChIKey of 2-(trifluoromethoxy)-1,3-benzothiazol-4-amine?
The InChIKey is BZFBSUDOSMBGHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F3N2OS/c9-8(10,11)14-7-13-6-4(12)2-1-3-5(6)15-7/h1-3H,12H2.
What are the key properties of 2-(trifluoromethoxy)-1,3-benzothiazol-4-amine?
2-(trifluoromethoxy)-1,3-benzothiazol-4-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 2-(trifluoromethoxy)-1,3-benzothiazol-4-amine is sourced from PubChem (CID 70091877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).