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

C7H9IN2OS — CID 102618680

IUPAC5-iodo-3-(1-methoxycyclobutyl)-1,2,4-thiadiazole
SMILESCOC1(c2nsc(I)n2)CCC1
InChIInChI=1S/C7H9IN2OS/c1-11-7(3-2-4-7)5-9-6(8)12-10-5/h2-4H2,1H3
InChIKeyMOQCPIWCVUHWQZ-UHFFFAOYSA-N
MW296.13 g/mol
LogP2.17
Rot. Bonds2

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

5-iodo-3-(1-methoxycyclobutyl)-1,2,4-thiadiazole (PubChem CID 102618680) has the molecular formula C7H9IN2OS and a molecular weight of 296.13 g/mol. Its IUPAC name is 5-iodo-3-(1-methoxycyclobutyl)-1,2,4-thiadiazole.

Molecular Properties

Compound Name5-iodo-3-(1-methoxycyclobutyl)-1,2,4-thiadiazole
PubChem CID102618680
Molecular FormulaC7H9IN2OS
Molecular Weight296.13 g/mol
Exact Mass295.95
IUPAC Name5-iodo-3-(1-methoxycyclobutyl)-1,2,4-thiadiazole
SMILESCOC1(c2nsc(I)n2)CCC1
InChIInChI=1S/C7H9IN2OS/c1-11-7(3-2-4-7)5-9-6(8)12-10-5/h2-4H2,1H3
InChIKeyMOQCPIWCVUHWQZ-UHFFFAOYSA-N
XLogP2.17
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.13
LogP ≤ 52.17
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-methoxycyclobutyl)-1,2,4-thiadiazole
CID 102618226
5-Bromo-3-(3-methoxypentan-3-yl)-1,2,4-thiadiazole
CID 102618229
5-Bromo-3-(2-methoxybutan-2-yl)-1,2,4-thiadiazole
CID 102618271
5-Iodo-3-(1-methoxycyclohexyl)-1,2,4-thiadiazole
CID 102618348
5-Iodo-3-(1-methoxy-2-methylpropyl)-1,2,4-thiadiazole
CID 102618349
5-Iodo-3-(2-methyloxolan-2-yl)-1,2,4-thiadiazole
CID 102618381
5-Iodo-3-(2-methoxypropan-2-yl)-1,2,4-thiadiazole
CID 102618450
3-(1-Ethoxycyclopentyl)-5-iodo-1,2,4-thiadiazole
CID 102618451
3-(1-Ethoxybutyl)-5-iodo-1,2,4-thiadiazole
CID 102618570
3-(2-Ethoxypropan-2-yl)-5-iodo-1,2,4-thiadiazole
CID 102618634
3-(3-Ethoxypentan-3-yl)-5-iodo-1,2,4-thiadiazole
CID 102618636
5-Iodo-3-(3-methoxypentan-3-yl)-1,2,4-thiadiazole
CID 102618682

Frequently Asked Questions

What is the IUPAC name of 5-iodo-3-(1-methoxycyclobutyl)-1,2,4-thiadiazole?
The IUPAC name of 5-iodo-3-(1-methoxycyclobutyl)-1,2,4-thiadiazole (CID 102618680) is 5-iodo-3-(1-methoxycyclobutyl)-1,2,4-thiadiazole.
What is the SMILES notation for 5-iodo-3-(1-methoxycyclobutyl)-1,2,4-thiadiazole?
The canonical SMILES for 5-iodo-3-(1-methoxycyclobutyl)-1,2,4-thiadiazole is COC1(c2nsc(I)n2)CCC1.
What is the InChIKey of 5-iodo-3-(1-methoxycyclobutyl)-1,2,4-thiadiazole?
The InChIKey is MOQCPIWCVUHWQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9IN2OS/c1-11-7(3-2-4-7)5-9-6(8)12-10-5/h2-4H2,1H3.
What are the key properties of 5-iodo-3-(1-methoxycyclobutyl)-1,2,4-thiadiazole?
5-iodo-3-(1-methoxycyclobutyl)-1,2,4-thiadiazole has a molecular weight of 296.13 g/mol, XLogP of 2.17, 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-methoxycyclobutyl)-1,2,4-thiadiazole is sourced from PubChem (CID 102618680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).