[5-[[4-(trifluoromethyl)phenoxy]methyl]-1,3-thiazol-2-yl]hydrazine

C11H10F3N3OS — CID 79763914

IUPAC[5-[[4-(trifluoromethyl)phenoxy]methyl]-1,3-thiazol-2-yl]hydrazine
SMILESNNc1ncc(COc2ccc(C(F)(F)F)cc2)s1
InChIInChI=1S/C11H10F3N3OS/c12-11(13,14)7-1-3-8(4-2-7)18-6-9-5-16-10(17-15)19-9/h1-5H,6,15H2,(H,16,17)
InChIKeyZNVHKBKTUQXBKL-UHFFFAOYSA-N
MW289.28 g/mol
LogP3.03
Rot. Bonds4

About [5-[[4-(trifluoromethyl)phenoxy]methyl]-1,3-thiazol-2-yl]hydrazine

[5-[[4-(trifluoromethyl)phenoxy]methyl]-1,3-thiazol-2-yl]hydrazine (PubChem CID 79763914) has the molecular formula C11H10F3N3OS and a molecular weight of 289.28 g/mol. Its IUPAC name is [5-[[4-(trifluoromethyl)phenoxy]methyl]-1,3-thiazol-2-yl]hydrazine.

Molecular Properties

Compound Name[5-[[4-(trifluoromethyl)phenoxy]methyl]-1,3-thiazol-2-yl]hydrazine
PubChem CID79763914
Molecular FormulaC11H10F3N3OS
Molecular Weight289.28 g/mol
Exact Mass289.05
IUPAC Name[5-[[4-(trifluoromethyl)phenoxy]methyl]-1,3-thiazol-2-yl]hydrazine
SMILESNNc1ncc(COc2ccc(C(F)(F)F)cc2)s1
InChIInChI=1S/C11H10F3N3OS/c12-11(13,14)7-1-3-8(4-2-7)18-6-9-5-16-10(17-15)19-9/h1-5H,6,15H2,(H,16,17)
InChIKeyZNVHKBKTUQXBKL-UHFFFAOYSA-N
XLogP3.03
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.28
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [5-[[4-(trifluoromethyl)phenoxy]methyl]-1,3-thiazol-2-yl]hydrazine?
The IUPAC name of [5-[[4-(trifluoromethyl)phenoxy]methyl]-1,3-thiazol-2-yl]hydrazine (CID 79763914) is [5-[[4-(trifluoromethyl)phenoxy]methyl]-1,3-thiazol-2-yl]hydrazine.
What is the SMILES notation for [5-[[4-(trifluoromethyl)phenoxy]methyl]-1,3-thiazol-2-yl]hydrazine?
The canonical SMILES for [5-[[4-(trifluoromethyl)phenoxy]methyl]-1,3-thiazol-2-yl]hydrazine is NNc1ncc(COc2ccc(C(F)(F)F)cc2)s1.
What is the InChIKey of [5-[[4-(trifluoromethyl)phenoxy]methyl]-1,3-thiazol-2-yl]hydrazine?
The InChIKey is ZNVHKBKTUQXBKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3N3OS/c12-11(13,14)7-1-3-8(4-2-7)18-6-9-5-16-10(17-15)19-9/h1-5H,6,15H2,(H,16,17).
What are the key properties of [5-[[4-(trifluoromethyl)phenoxy]methyl]-1,3-thiazol-2-yl]hydrazine?
[5-[[4-(trifluoromethyl)phenoxy]methyl]-1,3-thiazol-2-yl]hydrazine has a molecular weight of 289.28 g/mol, XLogP of 3.03, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[[4-(trifluoromethyl)phenoxy]methyl]-1,3-thiazol-2-yl]hydrazine is sourced from PubChem (CID 79763914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).