[6-(2,2,2-trifluoroethyl)-1,3-benzothiazol-2-yl]hydrazine

C9H8F3N3S — CID 86583251

IUPAC[6-(2,2,2-trifluoroethyl)-1,3-benzothiazol-2-yl]hydrazine
SMILESNNc1nc2ccc(CC(F)(F)F)cc2s1
InChIInChI=1S/C9H8F3N3S/c10-9(11,12)4-5-1-2-6-7(3-5)16-8(14-6)15-13/h1-3H,4,13H2,(H,14,15)
InChIKeyHPTNSXJGHZNBKL-UHFFFAOYSA-N
MW247.24 g/mol
LogP2.69
Rot. Bonds2

About [6-(2,2,2-trifluoroethyl)-1,3-benzothiazol-2-yl]hydrazine

[6-(2,2,2-trifluoroethyl)-1,3-benzothiazol-2-yl]hydrazine (PubChem CID 86583251) has the molecular formula C9H8F3N3S and a molecular weight of 247.24 g/mol. Its IUPAC name is [6-(2,2,2-trifluoroethyl)-1,3-benzothiazol-2-yl]hydrazine.

Molecular Properties

Compound Name[6-(2,2,2-trifluoroethyl)-1,3-benzothiazol-2-yl]hydrazine
PubChem CID86583251
Molecular FormulaC9H8F3N3S
Molecular Weight247.24 g/mol
Exact Mass247.04
IUPAC Name[6-(2,2,2-trifluoroethyl)-1,3-benzothiazol-2-yl]hydrazine
SMILESNNc1nc2ccc(CC(F)(F)F)cc2s1
InChIInChI=1S/C9H8F3N3S/c10-9(11,12)4-5-1-2-6-7(3-5)16-8(14-6)15-13/h1-3H,4,13H2,(H,14,15)
InChIKeyHPTNSXJGHZNBKL-UHFFFAOYSA-N
XLogP2.69
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.24
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[6-(fluoromethoxy)-1,3-benzothiazol-2-yl]hydrazine
CID 87338006
(2-hydrazinyl-[1,3]thiazolo[4,5-f][1,3]benzothiazol-6-yl)hydrazine
CID 50882373
[1,3]thiazolo[4,5-f][2,1,3]benzothiadiazol-6-ylhydrazine
CID 118201080
1-amino-N-[6-(2,2,2-trifluoroethoxy)-1,3-benzothiazol-2-yl]cyclopropane-1-carboxamide
CID 119719194
2-N-[(4-chlorophenyl)methyl]-1,3-benzothiazole-2,6-diamine
CID 63231401
N-[(4-fluorophenyl)methyl]-6-methyl-1,3-benzothiazol-2-amine
CID 71628497
N'-(6-decyl-1,3-benzothiazol-2-yl)ethane-1,2-diamine
CID 169298591
ethyl 3-[2-(propylamino)-1,3-benzothiazol-6-yl]propanoate
CID 82548458
N-(6-propyl-1,3-benzothiazol-2-yl)acetamide;tungsten
CID 59896475
N-(6-ethyl-1,3-benzothiazol-2-yl)butanamide
CID 2410170
N-(6-ethoxy-1,3-benzothiazol-2-yl)-6-ethyl-1,3-benzothiazol-2-amine
CID 108779484
[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]urea
CID 121230751

Frequently Asked Questions

What is the IUPAC name of [6-(2,2,2-trifluoroethyl)-1,3-benzothiazol-2-yl]hydrazine?
The IUPAC name of [6-(2,2,2-trifluoroethyl)-1,3-benzothiazol-2-yl]hydrazine (CID 86583251) is [6-(2,2,2-trifluoroethyl)-1,3-benzothiazol-2-yl]hydrazine.
What is the SMILES notation for [6-(2,2,2-trifluoroethyl)-1,3-benzothiazol-2-yl]hydrazine?
The canonical SMILES for [6-(2,2,2-trifluoroethyl)-1,3-benzothiazol-2-yl]hydrazine is NNc1nc2ccc(CC(F)(F)F)cc2s1.
What is the InChIKey of [6-(2,2,2-trifluoroethyl)-1,3-benzothiazol-2-yl]hydrazine?
The InChIKey is HPTNSXJGHZNBKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F3N3S/c10-9(11,12)4-5-1-2-6-7(3-5)16-8(14-6)15-13/h1-3H,4,13H2,(H,14,15).
What are the key properties of [6-(2,2,2-trifluoroethyl)-1,3-benzothiazol-2-yl]hydrazine?
[6-(2,2,2-trifluoroethyl)-1,3-benzothiazol-2-yl]hydrazine has a molecular weight of 247.24 g/mol, XLogP of 2.69, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(2,2,2-trifluoroethyl)-1,3-benzothiazol-2-yl]hydrazine is sourced from PubChem (CID 86583251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).