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

C5H7IN2OS — CID 102618412

IUPAC5-iodo-3-(2-methoxyethyl)-1,2,4-thiadiazole
SMILESCOCCc1nsc(I)n1
InChIInChI=1S/C5H7IN2OS/c1-9-3-2-4-7-5(6)10-8-4/h2-3H2,1H3
InChIKeyAPYFDNPRLNWLOP-UHFFFAOYSA-N
MW270.09 g/mol
LogP1.33
Rot. Bonds3

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

5-iodo-3-(2-methoxyethyl)-1,2,4-thiadiazole (PubChem CID 102618412) has the molecular formula C5H7IN2OS and a molecular weight of 270.09 g/mol. Its IUPAC name is 5-iodo-3-(2-methoxyethyl)-1,2,4-thiadiazole.

Molecular Properties

Compound Name5-iodo-3-(2-methoxyethyl)-1,2,4-thiadiazole
PubChem CID102618412
Molecular FormulaC5H7IN2OS
Molecular Weight270.09 g/mol
Exact Mass269.93
IUPAC Name5-iodo-3-(2-methoxyethyl)-1,2,4-thiadiazole
SMILESCOCCc1nsc(I)n1
InChIInChI=1S/C5H7IN2OS/c1-9-3-2-4-7-5(6)10-8-4/h2-3H2,1H3
InChIKeyAPYFDNPRLNWLOP-UHFFFAOYSA-N
XLogP1.33
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.09
LogP ≤ 51.33
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-methoxyethyl)-1,2,4-thiadiazole
CID 46318478
3-(2-Methoxyethyl)-1,2,4-thiadiazol-5-amine
CID 61412549
5-Iodo-3-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-thiadiazole
CID 103151211
3-[2-(2,2-Difluoroethoxy)ethyl]-5-iodo-1,2,4-thiadiazole
CID 103151212
5-Methoxy-3-methyl-1,2,4-thiadiazole
CID 21349938
3-Ethyl-5-iodo-1,2,4-thiadiazole
CID 68199501
5-Methoxy-3-propyl-1,2,4-thiadiazole
CID 89142868
5-Ethoxy-3-methyl-1,2,4-thiadiazole
CID 119096458
3-Ethyl-5-methoxy-1,2,4-thiadiazole
CID 139497480
3-Tert-butyl-5-methoxy-1,2,4-thiadiazole
CID 139570285
Ethane;3-ethyl-5-methoxy-1,2,4-thiadiazole
CID 141828615
5-(2-Methoxyethyl)-3-methyl-1,2,4-thiadiazole
CID 142566044

Frequently Asked Questions

What is the IUPAC name of 5-iodo-3-(2-methoxyethyl)-1,2,4-thiadiazole?
The IUPAC name of 5-iodo-3-(2-methoxyethyl)-1,2,4-thiadiazole (CID 102618412) is 5-iodo-3-(2-methoxyethyl)-1,2,4-thiadiazole.
What is the SMILES notation for 5-iodo-3-(2-methoxyethyl)-1,2,4-thiadiazole?
The canonical SMILES for 5-iodo-3-(2-methoxyethyl)-1,2,4-thiadiazole is COCCc1nsc(I)n1.
What is the InChIKey of 5-iodo-3-(2-methoxyethyl)-1,2,4-thiadiazole?
The InChIKey is APYFDNPRLNWLOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7IN2OS/c1-9-3-2-4-7-5(6)10-8-4/h2-3H2,1H3.
What are the key properties of 5-iodo-3-(2-methoxyethyl)-1,2,4-thiadiazole?
5-iodo-3-(2-methoxyethyl)-1,2,4-thiadiazole has a molecular weight of 270.09 g/mol, XLogP of 1.33, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-3-(2-methoxyethyl)-1,2,4-thiadiazole is sourced from PubChem (CID 102618412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).