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

C12H23N3OS — CID 79764158

IUPAC[5-(2-ethylhexoxymethyl)-1,3-thiazol-2-yl]hydrazine
SMILESCCCCC(CC)COCc1cnc(NN)s1
InChIInChI=1S/C12H23N3OS/c1-3-5-6-10(4-2)8-16-9-11-7-14-12(15-13)17-11/h7,10H,3-6,8-9,13H2,1-2H3,(H,14,15)
InChIKeyXTWDAFDILLKYFR-UHFFFAOYSA-N
MW257.40 g/mol
LogP3.16
Rot. Bonds9

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

[5-(2-ethylhexoxymethyl)-1,3-thiazol-2-yl]hydrazine (PubChem CID 79764158) has the molecular formula C12H23N3OS and a molecular weight of 257.40 g/mol. Its IUPAC name is [5-(2-ethylhexoxymethyl)-1,3-thiazol-2-yl]hydrazine.

Molecular Properties

Compound Name[5-(2-ethylhexoxymethyl)-1,3-thiazol-2-yl]hydrazine
PubChem CID79764158
Molecular FormulaC12H23N3OS
Molecular Weight257.40 g/mol
Exact Mass257.16
IUPAC Name[5-(2-ethylhexoxymethyl)-1,3-thiazol-2-yl]hydrazine
SMILESCCCCC(CC)COCc1cnc(NN)s1
InChIInChI=1S/C12H23N3OS/c1-3-5-6-10(4-2)8-16-9-11-7-14-12(15-13)17-11/h7,10H,3-6,8-9,13H2,1-2H3,(H,14,15)
InChIKeyXTWDAFDILLKYFR-UHFFFAOYSA-N
XLogP3.16
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.40
LogP ≤ 53.16
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-ethylhexoxymethyl)-1,3-thiazol-2-yl]hydrazine?
The IUPAC name of [5-(2-ethylhexoxymethyl)-1,3-thiazol-2-yl]hydrazine (CID 79764158) is [5-(2-ethylhexoxymethyl)-1,3-thiazol-2-yl]hydrazine.
What is the SMILES notation for [5-(2-ethylhexoxymethyl)-1,3-thiazol-2-yl]hydrazine?
The canonical SMILES for [5-(2-ethylhexoxymethyl)-1,3-thiazol-2-yl]hydrazine is CCCCC(CC)COCc1cnc(NN)s1.
What is the InChIKey of [5-(2-ethylhexoxymethyl)-1,3-thiazol-2-yl]hydrazine?
The InChIKey is XTWDAFDILLKYFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3OS/c1-3-5-6-10(4-2)8-16-9-11-7-14-12(15-13)17-11/h7,10H,3-6,8-9,13H2,1-2H3,(H,14,15).
What are the key properties of [5-(2-ethylhexoxymethyl)-1,3-thiazol-2-yl]hydrazine?
[5-(2-ethylhexoxymethyl)-1,3-thiazol-2-yl]hydrazine has a molecular weight of 257.40 g/mol, XLogP of 3.16, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2-ethylhexoxymethyl)-1,3-thiazol-2-yl]hydrazine is sourced from PubChem (CID 79764158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).