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

C10H15IN2OS — CID 102618506

IUPAC5-iodo-3-(1-methoxycycloheptyl)-1,2,4-thiadiazole
SMILESCOC1(c2nsc(I)n2)CCCCCC1
InChIInChI=1S/C10H15IN2OS/c1-14-10(6-4-2-3-5-7-10)8-12-9(11)15-13-8/h2-7H2,1H3
InChIKeyQYKJZJGBSKOONI-UHFFFAOYSA-N
MW338.21 g/mol
LogP3.34
Rot. Bonds2

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

5-iodo-3-(1-methoxycycloheptyl)-1,2,4-thiadiazole (PubChem CID 102618506) has the molecular formula C10H15IN2OS and a molecular weight of 338.21 g/mol. Its IUPAC name is 5-iodo-3-(1-methoxycycloheptyl)-1,2,4-thiadiazole.

Molecular Properties

Compound Name5-iodo-3-(1-methoxycycloheptyl)-1,2,4-thiadiazole
PubChem CID102618506
Molecular FormulaC10H15IN2OS
Molecular Weight338.21 g/mol
Exact Mass337.99
IUPAC Name5-iodo-3-(1-methoxycycloheptyl)-1,2,4-thiadiazole
SMILESCOC1(c2nsc(I)n2)CCCCCC1
InChIInChI=1S/C10H15IN2OS/c1-14-10(6-4-2-3-5-7-10)8-12-9(11)15-13-8/h2-7H2,1H3
InChIKeyQYKJZJGBSKOONI-UHFFFAOYSA-N
XLogP3.34
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
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-Bromo-3-(1-methoxycyclohexyl)-1,2,4-thiadiazole
CID 102617885
5-Bromo-3-(1-methoxycycloheptyl)-1,2,4-thiadiazole
CID 102618045
5-Bromo-3-(1-ethoxycycloheptyl)-1,2,4-thiadiazole
CID 102618122
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-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 5-iodo-3-(1-methoxycycloheptyl)-1,2,4-thiadiazole?
The IUPAC name of 5-iodo-3-(1-methoxycycloheptyl)-1,2,4-thiadiazole (CID 102618506) is 5-iodo-3-(1-methoxycycloheptyl)-1,2,4-thiadiazole.
What is the SMILES notation for 5-iodo-3-(1-methoxycycloheptyl)-1,2,4-thiadiazole?
The canonical SMILES for 5-iodo-3-(1-methoxycycloheptyl)-1,2,4-thiadiazole is COC1(c2nsc(I)n2)CCCCCC1.
What is the InChIKey of 5-iodo-3-(1-methoxycycloheptyl)-1,2,4-thiadiazole?
The InChIKey is QYKJZJGBSKOONI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15IN2OS/c1-14-10(6-4-2-3-5-7-10)8-12-9(11)15-13-8/h2-7H2,1H3.
What are the key properties of 5-iodo-3-(1-methoxycycloheptyl)-1,2,4-thiadiazole?
5-iodo-3-(1-methoxycycloheptyl)-1,2,4-thiadiazole has a molecular weight of 338.21 g/mol, XLogP of 3.34, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-3-(1-methoxycycloheptyl)-1,2,4-thiadiazole is sourced from PubChem (CID 102618506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).