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

C9H13IN2OS — CID 102618451

IUPAC3-(1-ethoxycyclopentyl)-5-iodo-1,2,4-thiadiazole
SMILESCCOC1(c2nsc(I)n2)CCCC1
InChIInChI=1S/C9H13IN2OS/c1-2-13-9(5-3-4-6-9)7-11-8(10)14-12-7/h2-6H2,1H3
InChIKeyYUXZSGBZAMBLPH-UHFFFAOYSA-N
MW324.19 g/mol
LogP2.95
Rot. Bonds3

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

3-(1-ethoxycyclopentyl)-5-iodo-1,2,4-thiadiazole (PubChem CID 102618451) has the molecular formula C9H13IN2OS and a molecular weight of 324.19 g/mol. Its IUPAC name is 3-(1-ethoxycyclopentyl)-5-iodo-1,2,4-thiadiazole.

Molecular Properties

Compound Name3-(1-ethoxycyclopentyl)-5-iodo-1,2,4-thiadiazole
PubChem CID102618451
Molecular FormulaC9H13IN2OS
Molecular Weight324.19 g/mol
Exact Mass323.98
IUPAC Name3-(1-ethoxycyclopentyl)-5-iodo-1,2,4-thiadiazole
SMILESCCOC1(c2nsc(I)n2)CCCC1
InChIInChI=1S/C9H13IN2OS/c1-2-13-9(5-3-4-6-9)7-11-8(10)14-12-7/h2-6H2,1H3
InChIKeyYUXZSGBZAMBLPH-UHFFFAOYSA-N
XLogP2.95
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.19
LogP ≤ 52.95
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-methyloxolan-2-yl)-1,2,4-thiadiazole
CID 80182407
5-Chloro-3-(2-methyloxan-2-yl)-1,2,4-thiadiazole
CID 80680722
5-Bromo-3-(2-methyloxolan-2-yl)-1,2,4-thiadiazole
CID 102617920
5-Bromo-3-(1-ethoxycyclopentyl)-1,2,4-thiadiazole
CID 102617991
5-Bromo-3-(2-methyloxan-2-yl)-1,2,4-thiadiazole
CID 102618225
5-Bromo-3-(1-ethoxycyclohexyl)-1,2,4-thiadiazole
CID 102618227
5-Bromo-3-(1-methoxycyclopentyl)-1,2,4-thiadiazole
CID 102618268
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-(2-methyloxolan-2-yl)-1,2,4-thiadiazole
CID 102618381
5-Iodo-3-(1-methoxycycloheptyl)-1,2,4-thiadiazole
CID 102618506
3-(1-Ethoxybutyl)-5-iodo-1,2,4-thiadiazole
CID 102618570

Frequently Asked Questions

What is the IUPAC name of 3-(1-ethoxycyclopentyl)-5-iodo-1,2,4-thiadiazole?
The IUPAC name of 3-(1-ethoxycyclopentyl)-5-iodo-1,2,4-thiadiazole (CID 102618451) is 3-(1-ethoxycyclopentyl)-5-iodo-1,2,4-thiadiazole.
What is the SMILES notation for 3-(1-ethoxycyclopentyl)-5-iodo-1,2,4-thiadiazole?
The canonical SMILES for 3-(1-ethoxycyclopentyl)-5-iodo-1,2,4-thiadiazole is CCOC1(c2nsc(I)n2)CCCC1.
What is the InChIKey of 3-(1-ethoxycyclopentyl)-5-iodo-1,2,4-thiadiazole?
The InChIKey is YUXZSGBZAMBLPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13IN2OS/c1-2-13-9(5-3-4-6-9)7-11-8(10)14-12-7/h2-6H2,1H3.
What are the key properties of 3-(1-ethoxycyclopentyl)-5-iodo-1,2,4-thiadiazole?
3-(1-ethoxycyclopentyl)-5-iodo-1,2,4-thiadiazole has a molecular weight of 324.19 g/mol, XLogP of 2.95, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-ethoxycyclopentyl)-5-iodo-1,2,4-thiadiazole is sourced from PubChem (CID 102618451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).