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

C8H5F3N2S2 — CID 134691878

IUPAC5-(trifluoromethylsulfanyl)-1,3-benzothiazol-2-amine
SMILESNc1nc2cc(SC(F)(F)F)ccc2s1
InChIInChI=1S/C8H5F3N2S2/c9-8(10,11)15-4-1-2-6-5(3-4)13-7(12)14-6/h1-3H,(H2,12,13)
InChIKeyDIGPLVUSJJPBIR-UHFFFAOYSA-N
MW250.27 g/mol
LogP3.49
Rot. Bonds1

About 5-(trifluoromethylsulfanyl)-1,3-benzothiazol-2-amine

5-(trifluoromethylsulfanyl)-1,3-benzothiazol-2-amine (PubChem CID 134691878) has the molecular formula C8H5F3N2S2 and a molecular weight of 250.27 g/mol. Its IUPAC name is 5-(trifluoromethylsulfanyl)-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name5-(trifluoromethylsulfanyl)-1,3-benzothiazol-2-amine
PubChem CID134691878
Molecular FormulaC8H5F3N2S2
Molecular Weight250.27 g/mol
Exact Mass249.98
IUPAC Name5-(trifluoromethylsulfanyl)-1,3-benzothiazol-2-amine
SMILESNc1nc2cc(SC(F)(F)F)ccc2s1
InChIInChI=1S/C8H5F3N2S2/c9-8(10,11)15-4-1-2-6-5(3-4)13-7(12)14-6/h1-3H,(H2,12,13)
InChIKeyDIGPLVUSJJPBIR-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

6-(trifluoromethylsulfanyl)-1,3-benzothiazol-2-amine
CID 2735964
2-amino-1,3-benzothiazole-5,6-diol
CID 13158929
[1,3]thiazolo[4,5-c]pyridin-2-amine
CID 14252938
5-(2-bromoethyl)-1,3-benzothiazol-2-amine
CID 54519949
5-(1-bromoethyl)-1,3-benzothiazol-2-amine
CID 21401463
2-(trifluoromethyl)-1,3-benzothiazol-5-amine
CID 45077489
[2-amino-5-(trifluoromethoxy)-1,3-benzothiazol-6-yl] thiocyanate
CID 175674940
6-(trifluoromethoxy)-1,3-benzothiazol-2-amine;hydrochloride
CID 6419992
4-(trifluoromethylsulfanyl)aniline;hydrochloride
CID 71758701
6-fluoro-1,3-benzothiazol-2-amine;hydrobromide
CID 139217681
4-[[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]methylsulfanyl]aniline
CID 86075020
6-chloro-5-(trifluoromethoxy)-1,3-benzothiazol-2-amine
CID 118961463

Frequently Asked Questions

What is the IUPAC name of 5-(trifluoromethylsulfanyl)-1,3-benzothiazol-2-amine?
The IUPAC name of 5-(trifluoromethylsulfanyl)-1,3-benzothiazol-2-amine (CID 134691878) is 5-(trifluoromethylsulfanyl)-1,3-benzothiazol-2-amine.
What is the SMILES notation for 5-(trifluoromethylsulfanyl)-1,3-benzothiazol-2-amine?
The canonical SMILES for 5-(trifluoromethylsulfanyl)-1,3-benzothiazol-2-amine is Nc1nc2cc(SC(F)(F)F)ccc2s1.
What is the InChIKey of 5-(trifluoromethylsulfanyl)-1,3-benzothiazol-2-amine?
The InChIKey is DIGPLVUSJJPBIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F3N2S2/c9-8(10,11)15-4-1-2-6-5(3-4)13-7(12)14-6/h1-3H,(H2,12,13).
What are the key properties of 5-(trifluoromethylsulfanyl)-1,3-benzothiazol-2-amine?
5-(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 5-(trifluoromethylsulfanyl)-1,3-benzothiazol-2-amine is sourced from PubChem (CID 134691878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).