3-[cyclohexyl(ethoxy)methyl]-5-iodo-1,2,4-thiadiazole

C11H17IN2OS — CID 102618409

IUPAC3-[cyclohexyl(ethoxy)methyl]-5-iodo-1,2,4-thiadiazole
SMILESCCOC(c1nsc(I)n1)C1CCCCC1
InChIInChI=1S/C11H17IN2OS/c1-2-15-9(8-6-4-3-5-7-8)10-13-11(12)16-14-10/h8-9H,2-7H2,1H3
InChIKeyHKTICHJUQSHVSE-UHFFFAOYSA-N
MW352.24 g/mol
LogP3.80
Rot. Bonds4

About 3-[cyclohexyl(ethoxy)methyl]-5-iodo-1,2,4-thiadiazole

3-[cyclohexyl(ethoxy)methyl]-5-iodo-1,2,4-thiadiazole (PubChem CID 102618409) has the molecular formula C11H17IN2OS and a molecular weight of 352.24 g/mol. Its IUPAC name is 3-[cyclohexyl(ethoxy)methyl]-5-iodo-1,2,4-thiadiazole.

Molecular Properties

Compound Name3-[cyclohexyl(ethoxy)methyl]-5-iodo-1,2,4-thiadiazole
PubChem CID102618409
Molecular FormulaC11H17IN2OS
Molecular Weight352.24 g/mol
Exact Mass352.01
IUPAC Name3-[cyclohexyl(ethoxy)methyl]-5-iodo-1,2,4-thiadiazole
SMILESCCOC(c1nsc(I)n1)C1CCCCC1
InChIInChI=1S/C11H17IN2OS/c1-2-15-9(8-6-4-3-5-7-8)10-13-11(12)16-14-10/h8-9H,2-7H2,1H3
InChIKeyHKTICHJUQSHVSE-UHFFFAOYSA-N
XLogP3.80
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.24
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-Bromo-3-(1-ethoxy-4-methylcyclohexyl)-1,2,4-thiadiazole
CID 102617889
5-Bromo-3-[cyclohexyl(ethoxy)methyl]-1,2,4-thiadiazole
CID 102617950
5-Bromo-3-[cyclohexyl(methoxy)methyl]-1,2,4-thiadiazole
CID 102618117
5-Bromo-3-(1-ethoxycyclohexyl)-1,2,4-thiadiazole
CID 102618227
5-Iodo-3-(1-methoxycyclohexyl)-1,2,4-thiadiazole
CID 102618348
3-(1-Ethoxy-4-methylcyclohexyl)-5-iodo-1,2,4-thiadiazole
CID 102618351
5-Iodo-3-(1-methoxy-3-methylcyclohexyl)-1,2,4-thiadiazole
CID 102618452
5-Iodo-3-(1-methoxycycloheptyl)-1,2,4-thiadiazole
CID 102618506
5-Iodo-3-(1-methoxy-4,4-dimethylcyclohexyl)-1,2,4-thiadiazole
CID 102618568
3-[Cyclohexyl(methoxy)methyl]-5-iodo-1,2,4-thiadiazole
CID 102618569
3-(1-Ethoxycycloheptyl)-5-iodo-1,2,4-thiadiazole
CID 102618573
3-(1-Ethoxy-3-methylcyclohexyl)-5-iodo-1,2,4-thiadiazole
CID 102618635

Frequently Asked Questions

What is the IUPAC name of 3-[cyclohexyl(ethoxy)methyl]-5-iodo-1,2,4-thiadiazole?
The IUPAC name of 3-[cyclohexyl(ethoxy)methyl]-5-iodo-1,2,4-thiadiazole (CID 102618409) is 3-[cyclohexyl(ethoxy)methyl]-5-iodo-1,2,4-thiadiazole.
What is the SMILES notation for 3-[cyclohexyl(ethoxy)methyl]-5-iodo-1,2,4-thiadiazole?
The canonical SMILES for 3-[cyclohexyl(ethoxy)methyl]-5-iodo-1,2,4-thiadiazole is CCOC(c1nsc(I)n1)C1CCCCC1.
What is the InChIKey of 3-[cyclohexyl(ethoxy)methyl]-5-iodo-1,2,4-thiadiazole?
The InChIKey is HKTICHJUQSHVSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17IN2OS/c1-2-15-9(8-6-4-3-5-7-8)10-13-11(12)16-14-10/h8-9H,2-7H2,1H3.
What are the key properties of 3-[cyclohexyl(ethoxy)methyl]-5-iodo-1,2,4-thiadiazole?
3-[cyclohexyl(ethoxy)methyl]-5-iodo-1,2,4-thiadiazole has a molecular weight of 352.24 g/mol, XLogP of 3.80, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclohexyl(ethoxy)methyl]-5-iodo-1,2,4-thiadiazole is sourced from PubChem (CID 102618409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).