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

C8H8F3N5S — CID 79764662

IUPAC[5-[[4-(trifluoromethyl)pyrazol-1-yl]methyl]-1,3-thiazol-2-yl]hydrazine
SMILESNNc1ncc(Cn2cc(C(F)(F)F)cn2)s1
InChIInChI=1S/C8H8F3N5S/c9-8(10,11)5-1-14-16(3-5)4-6-2-13-7(15-12)17-6/h1-3H,4,12H2,(H,13,15)
InChIKeyXHEBQJMHSJWBHU-UHFFFAOYSA-N
MW263.25 g/mol
LogP1.69
Rot. Bonds3

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

[5-[[4-(trifluoromethyl)pyrazol-1-yl]methyl]-1,3-thiazol-2-yl]hydrazine (PubChem CID 79764662) has the molecular formula C8H8F3N5S and a molecular weight of 263.25 g/mol. Its IUPAC name is [5-[[4-(trifluoromethyl)pyrazol-1-yl]methyl]-1,3-thiazol-2-yl]hydrazine.

Molecular Properties

Compound Name[5-[[4-(trifluoromethyl)pyrazol-1-yl]methyl]-1,3-thiazol-2-yl]hydrazine
PubChem CID79764662
Molecular FormulaC8H8F3N5S
Molecular Weight263.25 g/mol
Exact Mass263.05
IUPAC Name[5-[[4-(trifluoromethyl)pyrazol-1-yl]methyl]-1,3-thiazol-2-yl]hydrazine
SMILESNNc1ncc(Cn2cc(C(F)(F)F)cn2)s1
InChIInChI=1S/C8H8F3N5S/c9-8(10,11)5-1-14-16(3-5)4-6-2-13-7(15-12)17-6/h1-3H,4,12H2,(H,13,15)
InChIKeyXHEBQJMHSJWBHU-UHFFFAOYSA-N
XLogP1.69
TPSA68.76 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.25
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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)pyrazol-1-yl]methyl]-1,3-thiazol-2-yl]hydrazine?
The IUPAC name of [5-[[4-(trifluoromethyl)pyrazol-1-yl]methyl]-1,3-thiazol-2-yl]hydrazine (CID 79764662) is [5-[[4-(trifluoromethyl)pyrazol-1-yl]methyl]-1,3-thiazol-2-yl]hydrazine.
What is the SMILES notation for [5-[[4-(trifluoromethyl)pyrazol-1-yl]methyl]-1,3-thiazol-2-yl]hydrazine?
The canonical SMILES for [5-[[4-(trifluoromethyl)pyrazol-1-yl]methyl]-1,3-thiazol-2-yl]hydrazine is NNc1ncc(Cn2cc(C(F)(F)F)cn2)s1.
What is the InChIKey of [5-[[4-(trifluoromethyl)pyrazol-1-yl]methyl]-1,3-thiazol-2-yl]hydrazine?
The InChIKey is XHEBQJMHSJWBHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F3N5S/c9-8(10,11)5-1-14-16(3-5)4-6-2-13-7(15-12)17-6/h1-3H,4,12H2,(H,13,15).
What are the key properties of [5-[[4-(trifluoromethyl)pyrazol-1-yl]methyl]-1,3-thiazol-2-yl]hydrazine?
[5-[[4-(trifluoromethyl)pyrazol-1-yl]methyl]-1,3-thiazol-2-yl]hydrazine has a molecular weight of 263.25 g/mol, XLogP of 1.69, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[[4-(trifluoromethyl)pyrazol-1-yl]methyl]-1,3-thiazol-2-yl]hydrazine is sourced from PubChem (CID 79764662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).