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

C12H21N3OS — CID 79765444

IUPAC[5-[(3,5-dimethylcyclohexyl)oxymethyl]-1,3-thiazol-2-yl]hydrazine
SMILESCC1CC(C)CC(OCc2cnc(NN)s2)C1
InChIInChI=1S/C12H21N3OS/c1-8-3-9(2)5-10(4-8)16-7-11-6-14-12(15-13)17-11/h6,8-10H,3-5,7,13H2,1-2H3,(H,14,15)
InChIKeyJXDJSTKUZALQBW-UHFFFAOYSA-N
MW255.39 g/mol
LogP2.77
Rot. Bonds4

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

[5-[(3,5-dimethylcyclohexyl)oxymethyl]-1,3-thiazol-2-yl]hydrazine (PubChem CID 79765444) has the molecular formula C12H21N3OS and a molecular weight of 255.39 g/mol. Its IUPAC name is [5-[(3,5-dimethylcyclohexyl)oxymethyl]-1,3-thiazol-2-yl]hydrazine.

Molecular Properties

Compound Name[5-[(3,5-dimethylcyclohexyl)oxymethyl]-1,3-thiazol-2-yl]hydrazine
PubChem CID79765444
Molecular FormulaC12H21N3OS
Molecular Weight255.39 g/mol
Exact Mass255.14
IUPAC Name[5-[(3,5-dimethylcyclohexyl)oxymethyl]-1,3-thiazol-2-yl]hydrazine
SMILESCC1CC(C)CC(OCc2cnc(NN)s2)C1
InChIInChI=1S/C12H21N3OS/c1-8-3-9(2)5-10(4-8)16-7-11-6-14-12(15-13)17-11/h6,8-10H,3-5,7,13H2,1-2H3,(H,14,15)
InChIKeyJXDJSTKUZALQBW-UHFFFAOYSA-N
XLogP2.77
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.39
LogP ≤ 52.77
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-[(3,5-dimethylcyclohexyl)oxymethyl]-1,3-thiazol-2-yl]hydrazine?
The IUPAC name of [5-[(3,5-dimethylcyclohexyl)oxymethyl]-1,3-thiazol-2-yl]hydrazine (CID 79765444) is [5-[(3,5-dimethylcyclohexyl)oxymethyl]-1,3-thiazol-2-yl]hydrazine.
What is the SMILES notation for [5-[(3,5-dimethylcyclohexyl)oxymethyl]-1,3-thiazol-2-yl]hydrazine?
The canonical SMILES for [5-[(3,5-dimethylcyclohexyl)oxymethyl]-1,3-thiazol-2-yl]hydrazine is CC1CC(C)CC(OCc2cnc(NN)s2)C1.
What is the InChIKey of [5-[(3,5-dimethylcyclohexyl)oxymethyl]-1,3-thiazol-2-yl]hydrazine?
The InChIKey is JXDJSTKUZALQBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3OS/c1-8-3-9(2)5-10(4-8)16-7-11-6-14-12(15-13)17-11/h6,8-10H,3-5,7,13H2,1-2H3,(H,14,15).
What are the key properties of [5-[(3,5-dimethylcyclohexyl)oxymethyl]-1,3-thiazol-2-yl]hydrazine?
[5-[(3,5-dimethylcyclohexyl)oxymethyl]-1,3-thiazol-2-yl]hydrazine has a molecular weight of 255.39 g/mol, XLogP of 2.77, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(3,5-dimethylcyclohexyl)oxymethyl]-1,3-thiazol-2-yl]hydrazine is sourced from PubChem (CID 79765444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).