3-(1-ethoxycyclohexyl)-5-iodo-1,2,4-thiadiazole

C10H15IN2OS — CID 102618681

IUPAC3-(1-ethoxycyclohexyl)-5-iodo-1,2,4-thiadiazole
SMILESCCOC1(c2nsc(I)n2)CCCCC1
InChIInChI=1S/C10H15IN2OS/c1-2-14-10(6-4-3-5-7-10)8-12-9(11)15-13-8/h2-7H2,1H3
InChIKeyRQBPAUBGFVDRHP-UHFFFAOYSA-N
MW338.21 g/mol
LogP3.34
Rot. Bonds3

About 3-(1-ethoxycyclohexyl)-5-iodo-1,2,4-thiadiazole

3-(1-ethoxycyclohexyl)-5-iodo-1,2,4-thiadiazole (PubChem CID 102618681) has the molecular formula C10H15IN2OS and a molecular weight of 338.21 g/mol. Its IUPAC name is 3-(1-ethoxycyclohexyl)-5-iodo-1,2,4-thiadiazole.

Molecular Properties

Compound Name3-(1-ethoxycyclohexyl)-5-iodo-1,2,4-thiadiazole
PubChem CID102618681
Molecular FormulaC10H15IN2OS
Molecular Weight338.21 g/mol
Exact Mass337.99
IUPAC Name3-(1-ethoxycyclohexyl)-5-iodo-1,2,4-thiadiazole
SMILESCCOC1(c2nsc(I)n2)CCCCC1
InChIInChI=1S/C10H15IN2OS/c1-2-14-10(6-4-3-5-7-10)8-12-9(11)15-13-8/h2-7H2,1H3
InChIKeyRQBPAUBGFVDRHP-UHFFFAOYSA-N
XLogP3.34
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.21
LogP ≤ 53.34
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-Chloro-3-(2-methyloxan-2-yl)-1,2,4-thiadiazole
CID 80680722
3-(2-Methyloxan-2-yl)-1,2,4-thiadiazol-5-amine
CID 80690243
5-Bromo-3-(1-methoxycyclohexyl)-1,2,4-thiadiazole
CID 102617885
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-(1-ethoxycyclopentyl)-1,2,4-thiadiazole
CID 102617991
5-Bromo-3-(1-methoxy-3-methylcyclohexyl)-1,2,4-thiadiazole
CID 102617993
5-Bromo-3-(1-methoxy-4,4-dimethylcyclohexyl)-1,2,4-thiadiazole
CID 102618116
5-Bromo-3-[cyclohexyl(methoxy)methyl]-1,2,4-thiadiazole
CID 102618117
5-Bromo-3-(1-ethoxycycloheptyl)-1,2,4-thiadiazole
CID 102618122
5-Bromo-3-(1-ethoxy-3-methylcyclohexyl)-1,2,4-thiadiazole
CID 102618184
5-Bromo-3-(2-methyloxan-2-yl)-1,2,4-thiadiazole
CID 102618225

Frequently Asked Questions

What is the IUPAC name of 3-(1-ethoxycyclohexyl)-5-iodo-1,2,4-thiadiazole?
The IUPAC name of 3-(1-ethoxycyclohexyl)-5-iodo-1,2,4-thiadiazole (CID 102618681) is 3-(1-ethoxycyclohexyl)-5-iodo-1,2,4-thiadiazole.
What is the SMILES notation for 3-(1-ethoxycyclohexyl)-5-iodo-1,2,4-thiadiazole?
The canonical SMILES for 3-(1-ethoxycyclohexyl)-5-iodo-1,2,4-thiadiazole is CCOC1(c2nsc(I)n2)CCCCC1.
What is the InChIKey of 3-(1-ethoxycyclohexyl)-5-iodo-1,2,4-thiadiazole?
The InChIKey is RQBPAUBGFVDRHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15IN2OS/c1-2-14-10(6-4-3-5-7-10)8-12-9(11)15-13-8/h2-7H2,1H3.
What are the key properties of 3-(1-ethoxycyclohexyl)-5-iodo-1,2,4-thiadiazole?
3-(1-ethoxycyclohexyl)-5-iodo-1,2,4-thiadiazole has a molecular weight of 338.21 g/mol, XLogP of 3.34, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-ethoxycyclohexyl)-5-iodo-1,2,4-thiadiazole is sourced from PubChem (CID 102618681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).