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

C8H11IN2OS — CID 102618720

IUPAC5-iodo-3-(1-methoxycyclopentyl)-1,2,4-thiadiazole
SMILESCOC1(c2nsc(I)n2)CCCC1
InChIInChI=1S/C8H11IN2OS/c1-12-8(4-2-3-5-8)6-10-7(9)13-11-6/h2-5H2,1H3
InChIKeyLECLOKIRRLHBKD-UHFFFAOYSA-N
MW310.16 g/mol
LogP2.56
Rot. Bonds2

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

5-iodo-3-(1-methoxycyclopentyl)-1,2,4-thiadiazole (PubChem CID 102618720) has the molecular formula C8H11IN2OS and a molecular weight of 310.16 g/mol. Its IUPAC name is 5-iodo-3-(1-methoxycyclopentyl)-1,2,4-thiadiazole.

Molecular Properties

Compound Name5-iodo-3-(1-methoxycyclopentyl)-1,2,4-thiadiazole
PubChem CID102618720
Molecular FormulaC8H11IN2OS
Molecular Weight310.16 g/mol
Exact Mass309.96
IUPAC Name5-iodo-3-(1-methoxycyclopentyl)-1,2,4-thiadiazole
SMILESCOC1(c2nsc(I)n2)CCCC1
InChIInChI=1S/C8H11IN2OS/c1-12-8(4-2-3-5-8)6-10-7(9)13-11-6/h2-5H2,1H3
InChIKeyLECLOKIRRLHBKD-UHFFFAOYSA-N
XLogP2.56
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.16
LogP ≤ 52.56
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-ethoxycyclopentyl)-1,2,4-thiadiazole
CID 102617991
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
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-(1-Ethoxycycloheptyl)-5-iodo-1,2,4-thiadiazole
CID 102618573
5-Iodo-3-(4-methoxyoxan-4-yl)-1,2,4-thiadiazole
CID 102618630

Frequently Asked Questions

What is the IUPAC name of 5-iodo-3-(1-methoxycyclopentyl)-1,2,4-thiadiazole?
The IUPAC name of 5-iodo-3-(1-methoxycyclopentyl)-1,2,4-thiadiazole (CID 102618720) is 5-iodo-3-(1-methoxycyclopentyl)-1,2,4-thiadiazole.
What is the SMILES notation for 5-iodo-3-(1-methoxycyclopentyl)-1,2,4-thiadiazole?
The canonical SMILES for 5-iodo-3-(1-methoxycyclopentyl)-1,2,4-thiadiazole is COC1(c2nsc(I)n2)CCCC1.
What is the InChIKey of 5-iodo-3-(1-methoxycyclopentyl)-1,2,4-thiadiazole?
The InChIKey is LECLOKIRRLHBKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11IN2OS/c1-12-8(4-2-3-5-8)6-10-7(9)13-11-6/h2-5H2,1H3.
What are the key properties of 5-iodo-3-(1-methoxycyclopentyl)-1,2,4-thiadiazole?
5-iodo-3-(1-methoxycyclopentyl)-1,2,4-thiadiazole has a molecular weight of 310.16 g/mol, XLogP of 2.56, 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-methoxycyclopentyl)-1,2,4-thiadiazole is sourced from PubChem (CID 102618720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).