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

C9H17N3OS — CID 79764286

IUPAC[5-(3-methylbutoxymethyl)-1,3-thiazol-2-yl]hydrazine
SMILESCC(C)CCOCc1cnc(NN)s1
InChIInChI=1S/C9H17N3OS/c1-7(2)3-4-13-6-8-5-11-9(12-10)14-8/h5,7H,3-4,6,10H2,1-2H3,(H,11,12)
InChIKeySFWANYLSMQLCRJ-UHFFFAOYSA-N
MW215.32 g/mol
LogP1.99
Rot. Bonds6

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

[5-(3-methylbutoxymethyl)-1,3-thiazol-2-yl]hydrazine (PubChem CID 79764286) has the molecular formula C9H17N3OS and a molecular weight of 215.32 g/mol. Its IUPAC name is [5-(3-methylbutoxymethyl)-1,3-thiazol-2-yl]hydrazine.

Molecular Properties

Compound Name[5-(3-methylbutoxymethyl)-1,3-thiazol-2-yl]hydrazine
PubChem CID79764286
Molecular FormulaC9H17N3OS
Molecular Weight215.32 g/mol
Exact Mass215.11
IUPAC Name[5-(3-methylbutoxymethyl)-1,3-thiazol-2-yl]hydrazine
SMILESCC(C)CCOCc1cnc(NN)s1
InChIInChI=1S/C9H17N3OS/c1-7(2)3-4-13-6-8-5-11-9(12-10)14-8/h5,7H,3-4,6,10H2,1-2H3,(H,11,12)
InChIKeySFWANYLSMQLCRJ-UHFFFAOYSA-N
XLogP1.99
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.32
LogP ≤ 51.99
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'}

Analyze [5-(3-methylbutoxymethyl)-1,3-thiazol-2-yl]hydrazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [5-(3-methylbutoxymethyl)-1,3-thiazol-2-yl]hydrazine?
The IUPAC name of [5-(3-methylbutoxymethyl)-1,3-thiazol-2-yl]hydrazine (CID 79764286) is [5-(3-methylbutoxymethyl)-1,3-thiazol-2-yl]hydrazine.
What is the SMILES notation for [5-(3-methylbutoxymethyl)-1,3-thiazol-2-yl]hydrazine?
The canonical SMILES for [5-(3-methylbutoxymethyl)-1,3-thiazol-2-yl]hydrazine is CC(C)CCOCc1cnc(NN)s1.
What is the InChIKey of [5-(3-methylbutoxymethyl)-1,3-thiazol-2-yl]hydrazine?
The InChIKey is SFWANYLSMQLCRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3OS/c1-7(2)3-4-13-6-8-5-11-9(12-10)14-8/h5,7H,3-4,6,10H2,1-2H3,(H,11,12).
What are the key properties of [5-(3-methylbutoxymethyl)-1,3-thiazol-2-yl]hydrazine?
[5-(3-methylbutoxymethyl)-1,3-thiazol-2-yl]hydrazine has a molecular weight of 215.32 g/mol, XLogP of 1.99, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(3-methylbutoxymethyl)-1,3-thiazol-2-yl]hydrazine is sourced from PubChem (CID 79764286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).