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

C13H23N3OS — CID 79764029

IUPAC[5-[(3,3,5-trimethylcyclohexyl)oxymethyl]-1,3-thiazol-2-yl]hydrazine
SMILESCC1CC(OCc2cnc(NN)s2)CC(C)(C)C1
InChIInChI=1S/C13H23N3OS/c1-9-4-10(6-13(2,3)5-9)17-8-11-7-15-12(16-14)18-11/h7,9-10H,4-6,8,14H2,1-3H3,(H,15,16)
InChIKeyYUGXAJBPXYMRHQ-UHFFFAOYSA-N
MW269.41 g/mol
LogP3.16
Rot. Bonds4

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

[5-[(3,3,5-trimethylcyclohexyl)oxymethyl]-1,3-thiazol-2-yl]hydrazine (PubChem CID 79764029) has the molecular formula C13H23N3OS and a molecular weight of 269.41 g/mol. Its IUPAC name is [5-[(3,3,5-trimethylcyclohexyl)oxymethyl]-1,3-thiazol-2-yl]hydrazine.

Molecular Properties

Compound Name[5-[(3,3,5-trimethylcyclohexyl)oxymethyl]-1,3-thiazol-2-yl]hydrazine
PubChem CID79764029
Molecular FormulaC13H23N3OS
Molecular Weight269.41 g/mol
Exact Mass269.16
IUPAC Name[5-[(3,3,5-trimethylcyclohexyl)oxymethyl]-1,3-thiazol-2-yl]hydrazine
SMILESCC1CC(OCc2cnc(NN)s2)CC(C)(C)C1
InChIInChI=1S/C13H23N3OS/c1-9-4-10(6-13(2,3)5-9)17-8-11-7-15-12(16-14)18-11/h7,9-10H,4-6,8,14H2,1-3H3,(H,15,16)
InChIKeyYUGXAJBPXYMRHQ-UHFFFAOYSA-N
XLogP3.16
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.41
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-[(3,3,5-trimethylcyclohexyl)oxymethyl]-1,3-thiazol-2-yl]hydrazine?
The IUPAC name of [5-[(3,3,5-trimethylcyclohexyl)oxymethyl]-1,3-thiazol-2-yl]hydrazine (CID 79764029) is [5-[(3,3,5-trimethylcyclohexyl)oxymethyl]-1,3-thiazol-2-yl]hydrazine.
What is the SMILES notation for [5-[(3,3,5-trimethylcyclohexyl)oxymethyl]-1,3-thiazol-2-yl]hydrazine?
The canonical SMILES for [5-[(3,3,5-trimethylcyclohexyl)oxymethyl]-1,3-thiazol-2-yl]hydrazine is CC1CC(OCc2cnc(NN)s2)CC(C)(C)C1.
What is the InChIKey of [5-[(3,3,5-trimethylcyclohexyl)oxymethyl]-1,3-thiazol-2-yl]hydrazine?
The InChIKey is YUGXAJBPXYMRHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3OS/c1-9-4-10(6-13(2,3)5-9)17-8-11-7-15-12(16-14)18-11/h7,9-10H,4-6,8,14H2,1-3H3,(H,15,16).
What are the key properties of [5-[(3,3,5-trimethylcyclohexyl)oxymethyl]-1,3-thiazol-2-yl]hydrazine?
[5-[(3,3,5-trimethylcyclohexyl)oxymethyl]-1,3-thiazol-2-yl]hydrazine has a molecular weight of 269.41 g/mol, XLogP of 3.16, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(3,3,5-trimethylcyclohexyl)oxymethyl]-1,3-thiazol-2-yl]hydrazine is sourced from PubChem (CID 79764029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).