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

C8H5F3N2S — CID 12627364

IUPAC7-(trifluoromethyl)-2,1-benzothiazol-3-amine
SMILESNc1snc2c(C(F)(F)F)cccc12
InChIInChI=1S/C8H5F3N2S/c9-8(10,11)5-3-1-2-4-6(5)13-14-7(4)12/h1-3H,12H2
InChIKeyYBCLBTOSLBIRTM-UHFFFAOYSA-N
MW218.20 g/mol
LogP2.90
Rot. Bonds

About 7-(trifluoromethyl)-2,1-benzothiazol-3-amine

7-(trifluoromethyl)-2,1-benzothiazol-3-amine (PubChem CID 12627364) has the molecular formula C8H5F3N2S and a molecular weight of 218.20 g/mol. Its IUPAC name is 7-(trifluoromethyl)-2,1-benzothiazol-3-amine.

Molecular Properties

Compound Name7-(trifluoromethyl)-2,1-benzothiazol-3-amine
PubChem CID12627364
Molecular FormulaC8H5F3N2S
Molecular Weight218.20 g/mol
Exact Mass218.01
IUPAC Name7-(trifluoromethyl)-2,1-benzothiazol-3-amine
SMILESNc1snc2c(C(F)(F)F)cccc12
InChIInChI=1S/C8H5F3N2S/c9-8(10,11)5-3-1-2-4-6(5)13-14-7(4)12/h1-3H,12H2
InChIKeyYBCLBTOSLBIRTM-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 7-(trifluoromethyl)-2,1-benzothiazol-3-amine?
The IUPAC name of 7-(trifluoromethyl)-2,1-benzothiazol-3-amine (CID 12627364) is 7-(trifluoromethyl)-2,1-benzothiazol-3-amine.
What is the SMILES notation for 7-(trifluoromethyl)-2,1-benzothiazol-3-amine?
The canonical SMILES for 7-(trifluoromethyl)-2,1-benzothiazol-3-amine is Nc1snc2c(C(F)(F)F)cccc12.
What is the InChIKey of 7-(trifluoromethyl)-2,1-benzothiazol-3-amine?
The InChIKey is YBCLBTOSLBIRTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F3N2S/c9-8(10,11)5-3-1-2-4-6(5)13-14-7(4)12/h1-3H,12H2.
What are the key properties of 7-(trifluoromethyl)-2,1-benzothiazol-3-amine?
7-(trifluoromethyl)-2,1-benzothiazol-3-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 7-(trifluoromethyl)-2,1-benzothiazol-3-amine is sourced from PubChem (CID 12627364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).