[2-ethyl-1-(1,3-thiazol-4-yl)butyl]hydrazine

C9H17N3S — CID 105254260

IUPAC[2-ethyl-1-(1,3-thiazol-4-yl)butyl]hydrazine
SMILESCCC(CC)C(NN)c1cscn1
InChIInChI=1S/C9H17N3S/c1-3-7(4-2)9(12-10)8-5-13-6-11-8/h5-7,9,12H,3-4,10H2,1-2H3
InChIKeyINNIJQLNLTWCKL-UHFFFAOYSA-N
MW199.32 g/mol
LogP2.08
Rot. Bonds5

About [2-ethyl-1-(1,3-thiazol-4-yl)butyl]hydrazine

[2-ethyl-1-(1,3-thiazol-4-yl)butyl]hydrazine (PubChem CID 105254260) has the molecular formula C9H17N3S and a molecular weight of 199.32 g/mol. Its IUPAC name is [2-ethyl-1-(1,3-thiazol-4-yl)butyl]hydrazine.

Molecular Properties

Compound Name[2-ethyl-1-(1,3-thiazol-4-yl)butyl]hydrazine
PubChem CID105254260
Molecular FormulaC9H17N3S
Molecular Weight199.32 g/mol
Exact Mass199.11
IUPAC Name[2-ethyl-1-(1,3-thiazol-4-yl)butyl]hydrazine
SMILESCCC(CC)C(NN)c1cscn1
InChIInChI=1S/C9H17N3S/c1-3-7(4-2)9(12-10)8-5-13-6-11-8/h5-7,9,12H,3-4,10H2,1-2H3
InChIKeyINNIJQLNLTWCKL-UHFFFAOYSA-N
XLogP2.08
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.32
LogP ≤ 52.08
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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Frequently Asked Questions

What is the IUPAC name of [2-ethyl-1-(1,3-thiazol-4-yl)butyl]hydrazine?
The IUPAC name of [2-ethyl-1-(1,3-thiazol-4-yl)butyl]hydrazine (CID 105254260) is [2-ethyl-1-(1,3-thiazol-4-yl)butyl]hydrazine.
What is the SMILES notation for [2-ethyl-1-(1,3-thiazol-4-yl)butyl]hydrazine?
The canonical SMILES for [2-ethyl-1-(1,3-thiazol-4-yl)butyl]hydrazine is CCC(CC)C(NN)c1cscn1.
What is the InChIKey of [2-ethyl-1-(1,3-thiazol-4-yl)butyl]hydrazine?
The InChIKey is INNIJQLNLTWCKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3S/c1-3-7(4-2)9(12-10)8-5-13-6-11-8/h5-7,9,12H,3-4,10H2,1-2H3.
What are the key properties of [2-ethyl-1-(1,3-thiazol-4-yl)butyl]hydrazine?
[2-ethyl-1-(1,3-thiazol-4-yl)butyl]hydrazine has a molecular weight of 199.32 g/mol, XLogP of 2.08, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-ethyl-1-(1,3-thiazol-4-yl)butyl]hydrazine is sourced from PubChem (CID 105254260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).