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

C7H10F3N3OS — CID 82958170

IUPAC[5-(3,3,3-trifluoropropoxymethyl)-1,3-thiazol-2-yl]hydrazine
SMILESNNc1ncc(COCCC(F)(F)F)s1
InChIInChI=1S/C7H10F3N3OS/c8-7(9,10)1-2-14-4-5-3-12-6(13-11)15-5/h3H,1-2,4,11H2,(H,12,13)
InChIKeyKLLSTXNBLLAUNH-UHFFFAOYSA-N
MW241.24 g/mol
LogP1.90
Rot. Bonds5

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

[5-(3,3,3-trifluoropropoxymethyl)-1,3-thiazol-2-yl]hydrazine (PubChem CID 82958170) has the molecular formula C7H10F3N3OS and a molecular weight of 241.24 g/mol. Its IUPAC name is [5-(3,3,3-trifluoropropoxymethyl)-1,3-thiazol-2-yl]hydrazine.

Molecular Properties

Compound Name[5-(3,3,3-trifluoropropoxymethyl)-1,3-thiazol-2-yl]hydrazine
PubChem CID82958170
Molecular FormulaC7H10F3N3OS
Molecular Weight241.24 g/mol
Exact Mass241.05
IUPAC Name[5-(3,3,3-trifluoropropoxymethyl)-1,3-thiazol-2-yl]hydrazine
SMILESNNc1ncc(COCCC(F)(F)F)s1
InChIInChI=1S/C7H10F3N3OS/c8-7(9,10)1-2-14-4-5-3-12-6(13-11)15-5/h3H,1-2,4,11H2,(H,12,13)
InChIKeyKLLSTXNBLLAUNH-UHFFFAOYSA-N
XLogP1.90
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.24
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-(3,3,3-trifluoropropoxymethyl)-1,3-thiazol-2-yl]hydrazine?
The IUPAC name of [5-(3,3,3-trifluoropropoxymethyl)-1,3-thiazol-2-yl]hydrazine (CID 82958170) is [5-(3,3,3-trifluoropropoxymethyl)-1,3-thiazol-2-yl]hydrazine.
What is the SMILES notation for [5-(3,3,3-trifluoropropoxymethyl)-1,3-thiazol-2-yl]hydrazine?
The canonical SMILES for [5-(3,3,3-trifluoropropoxymethyl)-1,3-thiazol-2-yl]hydrazine is NNc1ncc(COCCC(F)(F)F)s1.
What is the InChIKey of [5-(3,3,3-trifluoropropoxymethyl)-1,3-thiazol-2-yl]hydrazine?
The InChIKey is KLLSTXNBLLAUNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F3N3OS/c8-7(9,10)1-2-14-4-5-3-12-6(13-11)15-5/h3H,1-2,4,11H2,(H,12,13).
What are the key properties of [5-(3,3,3-trifluoropropoxymethyl)-1,3-thiazol-2-yl]hydrazine?
[5-(3,3,3-trifluoropropoxymethyl)-1,3-thiazol-2-yl]hydrazine has a molecular weight of 241.24 g/mol, XLogP of 1.90, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(3,3,3-trifluoropropoxymethyl)-1,3-thiazol-2-yl]hydrazine is sourced from PubChem (CID 82958170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).