5-[2-(1-methylcyclohexyl)oxiran-2-yl]-1,3-thiazole

C12H17NOS — CID 58079292

IUPAC5-[2-(1-methylcyclohexyl)oxiran-2-yl]-1,3-thiazole
SMILESCC1(C2(c3cncs3)CO2)CCCCC1
InChIInChI=1S/C12H17NOS/c1-11(5-3-2-4-6-11)12(8-14-12)10-7-13-9-15-10/h7,9H,2-6,8H2,1H3
InChIKeyZZPAEPGZVWISFB-UHFFFAOYSA-N
MW223.34 g/mol
LogP3.34
Rot. Bonds2

About 5-[2-(1-methylcyclohexyl)oxiran-2-yl]-1,3-thiazole

5-[2-(1-methylcyclohexyl)oxiran-2-yl]-1,3-thiazole (PubChem CID 58079292) has the molecular formula C12H17NOS and a molecular weight of 223.34 g/mol. Its IUPAC name is 5-[2-(1-methylcyclohexyl)oxiran-2-yl]-1,3-thiazole.

Molecular Properties

Compound Name5-[2-(1-methylcyclohexyl)oxiran-2-yl]-1,3-thiazole
PubChem CID58079292
Molecular FormulaC12H17NOS
Molecular Weight223.34 g/mol
Exact Mass223.10
IUPAC Name5-[2-(1-methylcyclohexyl)oxiran-2-yl]-1,3-thiazole
SMILESCC1(C2(c3cncs3)CO2)CCCCC1
InChIInChI=1S/C12H17NOS/c1-11(5-3-2-4-6-11)12(8-14-12)10-7-13-9-15-10/h7,9H,2-6,8H2,1H3
InChIKeyZZPAEPGZVWISFB-UHFFFAOYSA-N
XLogP3.34
TPSA25.42 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.34
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(1-methylcyclohexyl)oxiran-2-yl]-1,3-thiazole?
The IUPAC name of 5-[2-(1-methylcyclohexyl)oxiran-2-yl]-1,3-thiazole (CID 58079292) is 5-[2-(1-methylcyclohexyl)oxiran-2-yl]-1,3-thiazole.
What is the SMILES notation for 5-[2-(1-methylcyclohexyl)oxiran-2-yl]-1,3-thiazole?
The canonical SMILES for 5-[2-(1-methylcyclohexyl)oxiran-2-yl]-1,3-thiazole is CC1(C2(c3cncs3)CO2)CCCCC1.
What is the InChIKey of 5-[2-(1-methylcyclohexyl)oxiran-2-yl]-1,3-thiazole?
The InChIKey is ZZPAEPGZVWISFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NOS/c1-11(5-3-2-4-6-11)12(8-14-12)10-7-13-9-15-10/h7,9H,2-6,8H2,1H3.
What are the key properties of 5-[2-(1-methylcyclohexyl)oxiran-2-yl]-1,3-thiazole?
5-[2-(1-methylcyclohexyl)oxiran-2-yl]-1,3-thiazole has a molecular weight of 223.34 g/mol, XLogP of 3.34, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(1-methylcyclohexyl)oxiran-2-yl]-1,3-thiazole is sourced from PubChem (CID 58079292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).