6-(trifluoromethoxy)-1,3-benzothiazol-2-amine;hydrochloride

C8H6ClF3N2OS — CID 6419992

IUPAC6-(trifluoromethoxy)-1,3-benzothiazol-2-amine;hydrochloride
SMILESCl.Nc1nc2ccc(OC(F)(F)F)cc2s1
InChIInChI=1S/C8H5F3N2OS.ClH/c9-8(10,11)14-4-1-2-5-6(3-4)15-7(12)13-5;/h1-3H,(H2,12,13);1H
InChIKeyQEAOELIJQRYJJS-UHFFFAOYSA-N
MW270.66 g/mol
LogP3.20
Rot. Bonds1

About 6-(trifluoromethoxy)-1,3-benzothiazol-2-amine;hydrochloride

6-(trifluoromethoxy)-1,3-benzothiazol-2-amine;hydrochloride (PubChem CID 6419992) has the molecular formula C8H6ClF3N2OS and a molecular weight of 270.66 g/mol. Its IUPAC name is 6-(trifluoromethoxy)-1,3-benzothiazol-2-amine;hydrochloride.

Molecular Properties

Compound Name6-(trifluoromethoxy)-1,3-benzothiazol-2-amine;hydrochloride
PubChem CID6419992
Molecular FormulaC8H6ClF3N2OS
Molecular Weight270.66 g/mol
Exact Mass269.98
IUPAC Name6-(trifluoromethoxy)-1,3-benzothiazol-2-amine;hydrochloride
SMILESCl.Nc1nc2ccc(OC(F)(F)F)cc2s1
InChIInChI=1S/C8H5F3N2OS.ClH/c9-8(10,11)14-4-1-2-5-6(3-4)15-7(12)13-5;/h1-3H,(H2,12,13);1H
InChIKeyQEAOELIJQRYJJS-UHFFFAOYSA-N
XLogP3.20
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.66
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(1,1-difluoroethoxy)-1,3-benzothiazol-2-amine
CID 89211366
[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]methanamine
CID 162561361
2-methylsulfanyl-6-(trifluoromethoxy)-1,3-benzothiazole
CID 44820103
CID 158604119
CID 158604119
2-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]acetamide;hydrochloride
CID 145148920
N-tert-butyl-6-(trifluoromethoxy)-1,3-benzothiazol-2-amine
CID 134241624
4-oxo-1H-quinoline-2-carboxylic acid;6-(trifluoromethoxy)-1,3-benzothiazol-2-amine
CID 87187000
[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]urea
CID 121230751
2-amino-2-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]acetamide;hydrochloride
CID 122656779
2-amino-6-fluorosulfonyloxy-1,3-benzothiazole
CID 118566745
6-(2-fluoroethoxy)-1,3-benzothiazol-2-amine
CID 59282924
N-propan-2-yl-6-(trifluoromethoxy)-1,3-benzothiazol-2-amine
CID 118215837

Frequently Asked Questions

What is the IUPAC name of 6-(trifluoromethoxy)-1,3-benzothiazol-2-amine;hydrochloride?
The IUPAC name of 6-(trifluoromethoxy)-1,3-benzothiazol-2-amine;hydrochloride (CID 6419992) is 6-(trifluoromethoxy)-1,3-benzothiazol-2-amine;hydrochloride.
What is the SMILES notation for 6-(trifluoromethoxy)-1,3-benzothiazol-2-amine;hydrochloride?
The canonical SMILES for 6-(trifluoromethoxy)-1,3-benzothiazol-2-amine;hydrochloride is Cl.Nc1nc2ccc(OC(F)(F)F)cc2s1.
What is the InChIKey of 6-(trifluoromethoxy)-1,3-benzothiazol-2-amine;hydrochloride?
The InChIKey is QEAOELIJQRYJJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F3N2OS.ClH/c9-8(10,11)14-4-1-2-5-6(3-4)15-7(12)13-5;/h1-3H,(H2,12,13);1H.
What are the key properties of 6-(trifluoromethoxy)-1,3-benzothiazol-2-amine;hydrochloride?
6-(trifluoromethoxy)-1,3-benzothiazol-2-amine;hydrochloride has a molecular weight of 270.66 g/mol, XLogP of 3.20, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(trifluoromethoxy)-1,3-benzothiazol-2-amine;hydrochloride is sourced from PubChem (CID 6419992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).