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

C11H17IN2OS — CID 102618573

IUPAC3-(1-ethoxycycloheptyl)-5-iodo-1,2,4-thiadiazole
SMILESCCOC1(c2nsc(I)n2)CCCCCC1
InChIInChI=1S/C11H17IN2OS/c1-2-15-11(7-5-3-4-6-8-11)9-13-10(12)16-14-9/h2-8H2,1H3
InChIKeyDCSRJIVKCCESGV-UHFFFAOYSA-N
MW352.24 g/mol
LogP3.73
Rot. Bonds3

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

3-(1-ethoxycycloheptyl)-5-iodo-1,2,4-thiadiazole (PubChem CID 102618573) has the molecular formula C11H17IN2OS and a molecular weight of 352.24 g/mol. Its IUPAC name is 3-(1-ethoxycycloheptyl)-5-iodo-1,2,4-thiadiazole.

Molecular Properties

Compound Name3-(1-ethoxycycloheptyl)-5-iodo-1,2,4-thiadiazole
PubChem CID102618573
Molecular FormulaC11H17IN2OS
Molecular Weight352.24 g/mol
Exact Mass352.01
IUPAC Name3-(1-ethoxycycloheptyl)-5-iodo-1,2,4-thiadiazole
SMILESCCOC1(c2nsc(I)n2)CCCCCC1
InChIInChI=1S/C11H17IN2OS/c1-2-15-11(7-5-3-4-6-8-11)9-13-10(12)16-14-9/h2-8H2,1H3
InChIKeyDCSRJIVKCCESGV-UHFFFAOYSA-N
XLogP3.73
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.24
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-(1-ethoxycycloheptyl)-5-iodo-1,2,4-thiadiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-Bromo-3-(1-methoxycycloheptyl)-1,2,4-thiadiazole
CID 102618045
5-Bromo-3-(1-ethoxycycloheptyl)-1,2,4-thiadiazole
CID 102618122
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
3-[Cyclohexyl(ethoxy)methyl]-5-iodo-1,2,4-thiadiazole
CID 102618409
3-(1-Ethoxycyclopentyl)-5-iodo-1,2,4-thiadiazole
CID 102618451
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-Ethoxy-3-methylcyclohexyl)-5-iodo-1,2,4-thiadiazole
CID 102618635

Frequently Asked Questions

What is the IUPAC name of 3-(1-ethoxycycloheptyl)-5-iodo-1,2,4-thiadiazole?
The IUPAC name of 3-(1-ethoxycycloheptyl)-5-iodo-1,2,4-thiadiazole (CID 102618573) is 3-(1-ethoxycycloheptyl)-5-iodo-1,2,4-thiadiazole.
What is the SMILES notation for 3-(1-ethoxycycloheptyl)-5-iodo-1,2,4-thiadiazole?
The canonical SMILES for 3-(1-ethoxycycloheptyl)-5-iodo-1,2,4-thiadiazole is CCOC1(c2nsc(I)n2)CCCCCC1.
What is the InChIKey of 3-(1-ethoxycycloheptyl)-5-iodo-1,2,4-thiadiazole?
The InChIKey is DCSRJIVKCCESGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17IN2OS/c1-2-15-11(7-5-3-4-6-8-11)9-13-10(12)16-14-9/h2-8H2,1H3.
What are the key properties of 3-(1-ethoxycycloheptyl)-5-iodo-1,2,4-thiadiazole?
3-(1-ethoxycycloheptyl)-5-iodo-1,2,4-thiadiazole has a molecular weight of 352.24 g/mol, XLogP of 3.73, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-ethoxycycloheptyl)-5-iodo-1,2,4-thiadiazole is sourced from PubChem (CID 102618573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).