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

C8H5F3N2S2 — CID 2735964

IUPAC6-(trifluoromethylsulfanyl)-1,3-benzothiazol-2-amine
SMILESNc1nc2ccc(SC(F)(F)F)cc2s1
InChIInChI=1S/C8H5F3N2S2/c9-8(10,11)15-4-1-2-5-6(3-4)14-7(12)13-5/h1-3H,(H2,12,13)
InChIKeyPBRVVEXJMLEKMJ-UHFFFAOYSA-N
MW250.27 g/mol
LogP3.49
Rot. Bonds1

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

6-(trifluoromethylsulfanyl)-1,3-benzothiazol-2-amine (PubChem CID 2735964) has the molecular formula C8H5F3N2S2 and a molecular weight of 250.27 g/mol. Its IUPAC name is 6-(trifluoromethylsulfanyl)-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name6-(trifluoromethylsulfanyl)-1,3-benzothiazol-2-amine
PubChem CID2735964
Molecular FormulaC8H5F3N2S2
Molecular Weight250.27 g/mol
Exact Mass249.98
IUPAC Name6-(trifluoromethylsulfanyl)-1,3-benzothiazol-2-amine
SMILESNc1nc2ccc(SC(F)(F)F)cc2s1
InChIInChI=1S/C8H5F3N2S2/c9-8(10,11)15-4-1-2-5-6(3-4)14-7(12)13-5/h1-3H,(H2,12,13)
InChIKeyPBRVVEXJMLEKMJ-UHFFFAOYSA-N
XLogP3.49
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.27
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(trifluoromethylsulfanyl)-1,3-benzothiazol-2-amine
CID 134691878
6-fluoro-1,3-benzothiazol-2-amine;hydrobromide
CID 139217681
6-(trifluoromethoxy)-1,3-benzothiazol-2-amine;hydrochloride
CID 6419992
6-(1,1-difluoroethoxy)-1,3-benzothiazol-2-amine
CID 89211366
(2-amino-1,3-benzothiazol-6-yl)boronic acid
CID 119086634
2-amino-1,3-benzothiazole-6-sulfonyl fluoride
CID 130156167
N-(1-methylbenzimidazol-2-yl)-6-(trifluoromethylsulfanyl)-1,3-benzothiazol-2-amine
CID 121379531
6-hydrazinyl-1,3-benzothiazol-2-amine
CID 116994182
6-methylsulfonyl-1,3-benzothiazol-2-amine;hydrochloride
CID 53433226
6-N,6-N-dimethyl-1,3-benzothiazole-2,6-diamine
CID 17244961
2-amino-1,3-benzothiazole-5,6-diol
CID 13158929
N-(2-amino-1,3-benzothiazol-6-yl)-N-oxidohydroxylamine
CID 163173457

Frequently Asked Questions

What is the IUPAC name of 6-(trifluoromethylsulfanyl)-1,3-benzothiazol-2-amine?
The IUPAC name of 6-(trifluoromethylsulfanyl)-1,3-benzothiazol-2-amine (CID 2735964) is 6-(trifluoromethylsulfanyl)-1,3-benzothiazol-2-amine.
What is the SMILES notation for 6-(trifluoromethylsulfanyl)-1,3-benzothiazol-2-amine?
The canonical SMILES for 6-(trifluoromethylsulfanyl)-1,3-benzothiazol-2-amine is Nc1nc2ccc(SC(F)(F)F)cc2s1.
What is the InChIKey of 6-(trifluoromethylsulfanyl)-1,3-benzothiazol-2-amine?
The InChIKey is PBRVVEXJMLEKMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F3N2S2/c9-8(10,11)15-4-1-2-5-6(3-4)14-7(12)13-5/h1-3H,(H2,12,13).
What are the key properties of 6-(trifluoromethylsulfanyl)-1,3-benzothiazol-2-amine?
6-(trifluoromethylsulfanyl)-1,3-benzothiazol-2-amine has a molecular weight of 250.27 g/mol, XLogP of 3.49, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(trifluoromethylsulfanyl)-1,3-benzothiazol-2-amine is sourced from PubChem (CID 2735964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).