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

C8H5F3N2OS — CID 5070

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IUPAC6-(trifluoromethoxy)-1,3-benzothiazol-2-amine
SMILESNc1nc2ccc(OC(F)(F)F)cc2s1
InChIInChI=1S/C8H5F3N2OS/c9-8(10,11)14-4-1-2-5-6(3-4)15-7(12)13-5/h1-3H,(H2,12,13)
InChIKeyFTALBRSUTCGOEG-UHFFFAOYSA-N
MW234.20 g/mol
LogP2.78
Rot. Bonds1

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

6-(trifluoromethoxy)-1,3-benzothiazol-2-amine (PubChem CID 5070) has the molecular formula C8H5F3N2OS and a molecular weight of 234.20 g/mol. Its IUPAC name is 6-(trifluoromethoxy)-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name6-(trifluoromethoxy)-1,3-benzothiazol-2-amine
PubChem CID5070
Molecular FormulaC8H5F3N2OS
Molecular Weight234.20 g/mol
Exact Mass234.01
IUPAC Name6-(trifluoromethoxy)-1,3-benzothiazol-2-amine
SMILESNc1nc2ccc(OC(F)(F)F)cc2s1
InChIInChI=1S/C8H5F3N2OS/c9-8(10,11)14-4-1-2-5-6(3-4)15-7(12)13-5/h1-3H,(H2,12,13)
InChIKeyFTALBRSUTCGOEG-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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Related Compounds

2-Amino-6-methoxybenzothiazole
CID 15630
Diamthazole
CID 8708
Frentizole
CID 33334
Tioxidazole
CID 72157
2-Amino-6-benzothiazolol
CID 33462
4-Methoxy-2-aminobenzothiazole
CID 21622
5-Methoxy-2-benzothiazolamine
CID 41055
Amino-6-ethoxybenzothiazole, 2-
CID 7192
1-(1,3-Benzothiazol-2-yl)-3-(4-methoxyphenyl)urea
CID 950701
N-(6-methoxybenzo[d]thiazol-2-yl)acetamide
CID 2306705
5,6-Dimethoxy-1,3-benzothiazol-2-amine
CID 94938
N-(2-methoxyphenyl)-1,3-benzothiazol-2-amine
CID 234669

Frequently Asked Questions

What is the IUPAC name of 6-(trifluoromethoxy)-1,3-benzothiazol-2-amine?
The IUPAC name of 6-(trifluoromethoxy)-1,3-benzothiazol-2-amine (CID 5070) is 6-(trifluoromethoxy)-1,3-benzothiazol-2-amine.
What is the SMILES notation for 6-(trifluoromethoxy)-1,3-benzothiazol-2-amine?
The canonical SMILES for 6-(trifluoromethoxy)-1,3-benzothiazol-2-amine is Nc1nc2ccc(OC(F)(F)F)cc2s1.
What is the InChIKey of 6-(trifluoromethoxy)-1,3-benzothiazol-2-amine?
The InChIKey is FTALBRSUTCGOEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F3N2OS/c9-8(10,11)14-4-1-2-5-6(3-4)15-7(12)13-5/h1-3H,(H2,12,13).
What are the key properties of 6-(trifluoromethoxy)-1,3-benzothiazol-2-amine?
6-(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 6-(trifluoromethoxy)-1,3-benzothiazol-2-amine is sourced from PubChem (CID 5070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).