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

C8H5F3N2O2S2 — CID 61369334

IUPAC2-(trifluoromethylsulfonyl)-1,3-benzothiazol-6-amine
SMILESNc1ccc2nc(S(=O)(=O)C(F)(F)F)sc2c1
InChIInChI=1S/C8H5F3N2O2S2/c9-8(10,11)17(14,15)7-13-5-2-1-4(12)3-6(5)16-7/h1-3H,12H2
InChIKeyFIKCUZAWNRSJMM-UHFFFAOYSA-N
MW282.27 g/mol
LogP2.17
Rot. Bonds1

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

2-(trifluoromethylsulfonyl)-1,3-benzothiazol-6-amine (PubChem CID 61369334) has the molecular formula C8H5F3N2O2S2 and a molecular weight of 282.27 g/mol. Its IUPAC name is 2-(trifluoromethylsulfonyl)-1,3-benzothiazol-6-amine.

Molecular Properties

Compound Name2-(trifluoromethylsulfonyl)-1,3-benzothiazol-6-amine
PubChem CID61369334
Molecular FormulaC8H5F3N2O2S2
Molecular Weight282.27 g/mol
Exact Mass281.97
IUPAC Name2-(trifluoromethylsulfonyl)-1,3-benzothiazol-6-amine
SMILESNc1ccc2nc(S(=O)(=O)C(F)(F)F)sc2c1
InChIInChI=1S/C8H5F3N2O2S2/c9-8(10,11)17(14,15)7-13-5-2-1-4(12)3-6(5)16-7/h1-3H,12H2
InChIKeyFIKCUZAWNRSJMM-UHFFFAOYSA-N
XLogP2.17
TPSA73.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.27
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(4,4,4-trifluorobutylsulfonyl)-1,3-benzothiazol-6-amine
CID 115517934
4-[(6-amino-1,3-benzothiazol-2-yl)sulfonyl]benzoic acid
CID 22766695
2-(3-ethoxypropylsulfonyl)-1,3-benzothiazol-6-amine
CID 65180674
4-[(6-amino-1,3-benzothiazol-2-yl)sulfonyl]-2,2-dimethylbutanenitrile
CID 65251846
2-[(4-methylphenyl)methylsulfonyl]-1,3-benzothiazol-6-amine
CID 61367237
2-[(6-amino-1,3-benzothiazol-2-yl)sulfonyl]-N-methyl-N-propan-2-ylacetamide
CID 61367807
2-[2-(diethylamino)ethylsulfonyl]-1,3-benzothiazol-6-amine
CID 61369330
2-(oxolan-2-ylmethylsulfonyl)-1,3-benzothiazol-6-amine
CID 55090459
2-(2,3,4,5,6-pentafluorophenyl)-1,3-benzothiazol-6-amine
CID 66201699
2-(oxan-2-ylmethylsulfonyl)-1,3-benzothiazol-6-amine
CID 61368196
2-(6-amino-1,3-benzothiazol-2-yl)guanidine
CID 130005649
2-(4-methylsulfonylphenyl)-1,3-benzothiazol-6-amine
CID 66203444

Frequently Asked Questions

What is the IUPAC name of 2-(trifluoromethylsulfonyl)-1,3-benzothiazol-6-amine?
The IUPAC name of 2-(trifluoromethylsulfonyl)-1,3-benzothiazol-6-amine (CID 61369334) is 2-(trifluoromethylsulfonyl)-1,3-benzothiazol-6-amine.
What is the SMILES notation for 2-(trifluoromethylsulfonyl)-1,3-benzothiazol-6-amine?
The canonical SMILES for 2-(trifluoromethylsulfonyl)-1,3-benzothiazol-6-amine is Nc1ccc2nc(S(=O)(=O)C(F)(F)F)sc2c1.
What is the InChIKey of 2-(trifluoromethylsulfonyl)-1,3-benzothiazol-6-amine?
The InChIKey is FIKCUZAWNRSJMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F3N2O2S2/c9-8(10,11)17(14,15)7-13-5-2-1-4(12)3-6(5)16-7/h1-3H,12H2.
What are the key properties of 2-(trifluoromethylsulfonyl)-1,3-benzothiazol-6-amine?
2-(trifluoromethylsulfonyl)-1,3-benzothiazol-6-amine has a molecular weight of 282.27 g/mol, XLogP of 2.17, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(trifluoromethylsulfonyl)-1,3-benzothiazol-6-amine is sourced from PubChem (CID 61369334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).