3-(3-cyclohexylpropoxy)-1,2,5-thiadiazole

C11H18N2OS — CID 140968485

IUPAC3-(3-cyclohexylpropoxy)-1,2,5-thiadiazole
SMILESc1nsnc1OCCCC1CCCCC1
InChIInChI=1S/C11H18N2OS/c1-2-5-10(6-3-1)7-4-8-14-11-9-12-15-13-11/h9-10H,1-8H2
InChIKeyGGPTWWGUKVPRQO-UHFFFAOYSA-N
MW226.34 g/mol
LogP3.28
Rot. Bonds5

About 3-(3-cyclohexylpropoxy)-1,2,5-thiadiazole

3-(3-cyclohexylpropoxy)-1,2,5-thiadiazole (PubChem CID 140968485) has the molecular formula C11H18N2OS and a molecular weight of 226.34 g/mol. Its IUPAC name is 3-(3-cyclohexylpropoxy)-1,2,5-thiadiazole.

Molecular Properties

Compound Name3-(3-cyclohexylpropoxy)-1,2,5-thiadiazole
PubChem CID140968485
Molecular FormulaC11H18N2OS
Molecular Weight226.34 g/mol
Exact Mass226.11
IUPAC Name3-(3-cyclohexylpropoxy)-1,2,5-thiadiazole
SMILESc1nsnc1OCCCC1CCCCC1
InChIInChI=1S/C11H18N2OS/c1-2-5-10(6-3-1)7-4-8-14-11-9-12-15-13-11/h9-10H,1-8H2
InChIKeyGGPTWWGUKVPRQO-UHFFFAOYSA-N
XLogP3.28
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.34
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(3-cyclohexylpropoxy)-1,2,5-thiadiazole?
The IUPAC name of 3-(3-cyclohexylpropoxy)-1,2,5-thiadiazole (CID 140968485) is 3-(3-cyclohexylpropoxy)-1,2,5-thiadiazole.
What is the SMILES notation for 3-(3-cyclohexylpropoxy)-1,2,5-thiadiazole?
The canonical SMILES for 3-(3-cyclohexylpropoxy)-1,2,5-thiadiazole is c1nsnc1OCCCC1CCCCC1.
What is the InChIKey of 3-(3-cyclohexylpropoxy)-1,2,5-thiadiazole?
The InChIKey is GGPTWWGUKVPRQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2OS/c1-2-5-10(6-3-1)7-4-8-14-11-9-12-15-13-11/h9-10H,1-8H2.
What are the key properties of 3-(3-cyclohexylpropoxy)-1,2,5-thiadiazole?
3-(3-cyclohexylpropoxy)-1,2,5-thiadiazole has a molecular weight of 226.34 g/mol, XLogP of 3.28, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-cyclohexylpropoxy)-1,2,5-thiadiazole is sourced from PubChem (CID 140968485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).