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

C12H21N3OS — CID 79764162

IUPAC[5-[(2-ethylcyclohexyl)oxymethyl]-1,3-thiazol-2-yl]hydrazine
SMILESCCC1CCCCC1OCc1cnc(NN)s1
InChIInChI=1S/C12H21N3OS/c1-2-9-5-3-4-6-11(9)16-8-10-7-14-12(15-13)17-10/h7,9,11H,2-6,8,13H2,1H3,(H,14,15)
InChIKeyIHGDCPLVYYRRHB-UHFFFAOYSA-N
MW255.39 g/mol
LogP2.91
Rot. Bonds5

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

[5-[(2-ethylcyclohexyl)oxymethyl]-1,3-thiazol-2-yl]hydrazine (PubChem CID 79764162) has the molecular formula C12H21N3OS and a molecular weight of 255.39 g/mol. Its IUPAC name is [5-[(2-ethylcyclohexyl)oxymethyl]-1,3-thiazol-2-yl]hydrazine.

Molecular Properties

Compound Name[5-[(2-ethylcyclohexyl)oxymethyl]-1,3-thiazol-2-yl]hydrazine
PubChem CID79764162
Molecular FormulaC12H21N3OS
Molecular Weight255.39 g/mol
Exact Mass255.14
IUPAC Name[5-[(2-ethylcyclohexyl)oxymethyl]-1,3-thiazol-2-yl]hydrazine
SMILESCCC1CCCCC1OCc1cnc(NN)s1
InChIInChI=1S/C12H21N3OS/c1-2-9-5-3-4-6-11(9)16-8-10-7-14-12(15-13)17-10/h7,9,11H,2-6,8,13H2,1H3,(H,14,15)
InChIKeyIHGDCPLVYYRRHB-UHFFFAOYSA-N
XLogP2.91
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.39
LogP ≤ 52.91
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-ethylcyclohexyl)oxymethyl]-1,3-thiazol-2-yl]hydrazine?
The IUPAC name of [5-[(2-ethylcyclohexyl)oxymethyl]-1,3-thiazol-2-yl]hydrazine (CID 79764162) is [5-[(2-ethylcyclohexyl)oxymethyl]-1,3-thiazol-2-yl]hydrazine.
What is the SMILES notation for [5-[(2-ethylcyclohexyl)oxymethyl]-1,3-thiazol-2-yl]hydrazine?
The canonical SMILES for [5-[(2-ethylcyclohexyl)oxymethyl]-1,3-thiazol-2-yl]hydrazine is CCC1CCCCC1OCc1cnc(NN)s1.
What is the InChIKey of [5-[(2-ethylcyclohexyl)oxymethyl]-1,3-thiazol-2-yl]hydrazine?
The InChIKey is IHGDCPLVYYRRHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3OS/c1-2-9-5-3-4-6-11(9)16-8-10-7-14-12(15-13)17-10/h7,9,11H,2-6,8,13H2,1H3,(H,14,15).
What are the key properties of [5-[(2-ethylcyclohexyl)oxymethyl]-1,3-thiazol-2-yl]hydrazine?
[5-[(2-ethylcyclohexyl)oxymethyl]-1,3-thiazol-2-yl]hydrazine has a molecular weight of 255.39 g/mol, XLogP of 2.91, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(2-ethylcyclohexyl)oxymethyl]-1,3-thiazol-2-yl]hydrazine is sourced from PubChem (CID 79764162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).