[5-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-2-yl]hydrazine

C6H8F3N3OS — CID 79765559

IUPAC[5-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-2-yl]hydrazine
SMILESNNc1ncc(COCC(F)(F)F)s1
InChIInChI=1S/C6H8F3N3OS/c7-6(8,9)3-13-2-4-1-11-5(12-10)14-4/h1H,2-3,10H2,(H,11,12)
InChIKeyNHBMBXOQVVBSPT-UHFFFAOYSA-N
MW227.21 g/mol
LogP1.51
Rot. Bonds4

About [5-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-2-yl]hydrazine

[5-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-2-yl]hydrazine (PubChem CID 79765559) has the molecular formula C6H8F3N3OS and a molecular weight of 227.21 g/mol. Its IUPAC name is [5-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-2-yl]hydrazine.

Molecular Properties

Compound Name[5-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-2-yl]hydrazine
PubChem CID79765559
Molecular FormulaC6H8F3N3OS
Molecular Weight227.21 g/mol
Exact Mass227.03
IUPAC Name[5-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-2-yl]hydrazine
SMILESNNc1ncc(COCC(F)(F)F)s1
InChIInChI=1S/C6H8F3N3OS/c7-6(8,9)3-13-2-4-1-11-5(12-10)14-4/h1H,2-3,10H2,(H,11,12)
InChIKeyNHBMBXOQVVBSPT-UHFFFAOYSA-N
XLogP1.51
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.21
LogP ≤ 51.51
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-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-2-yl]hydrazine?
The IUPAC name of [5-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-2-yl]hydrazine (CID 79765559) is [5-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-2-yl]hydrazine.
What is the SMILES notation for [5-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-2-yl]hydrazine?
The canonical SMILES for [5-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-2-yl]hydrazine is NNc1ncc(COCC(F)(F)F)s1.
What is the InChIKey of [5-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-2-yl]hydrazine?
The InChIKey is NHBMBXOQVVBSPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F3N3OS/c7-6(8,9)3-13-2-4-1-11-5(12-10)14-4/h1H,2-3,10H2,(H,11,12).
What are the key properties of [5-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-2-yl]hydrazine?
[5-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-2-yl]hydrazine has a molecular weight of 227.21 g/mol, XLogP of 1.51, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-2-yl]hydrazine is sourced from PubChem (CID 79765559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).