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

C7H11IN2OS — CID 102618729

IUPAC5-iodo-3-(1-methoxybutyl)-1,2,4-thiadiazole
SMILESCCCC(OC)c1nsc(I)n1
InChIInChI=1S/C7H11IN2OS/c1-3-4-5(11-2)6-9-7(8)12-10-6/h5H,3-4H2,1-2H3
InChIKeyMFFJAFYZCVKESD-UHFFFAOYSA-N
MW298.15 g/mol
LogP2.63
Rot. Bonds4

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

5-iodo-3-(1-methoxybutyl)-1,2,4-thiadiazole (PubChem CID 102618729) has the molecular formula C7H11IN2OS and a molecular weight of 298.15 g/mol. Its IUPAC name is 5-iodo-3-(1-methoxybutyl)-1,2,4-thiadiazole.

Molecular Properties

Compound Name5-iodo-3-(1-methoxybutyl)-1,2,4-thiadiazole
PubChem CID102618729
Molecular FormulaC7H11IN2OS
Molecular Weight298.15 g/mol
Exact Mass297.96
IUPAC Name5-iodo-3-(1-methoxybutyl)-1,2,4-thiadiazole
SMILESCCCC(OC)c1nsc(I)n1
InChIInChI=1S/C7H11IN2OS/c1-3-4-5(11-2)6-9-7(8)12-10-6/h5H,3-4H2,1-2H3
InChIKeyMFFJAFYZCVKESD-UHFFFAOYSA-N
XLogP2.63
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.15
LogP ≤ 52.63
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

3-(1-Methoxyethyl)-1,2,4-thiadiazol-5-amine
CID 79616034
5-Chloro-3-(1-ethoxyethyl)-1,2,4-thiadiazole
CID 65267198
5-Chloro-3-(1-methoxyethyl)-1,2,4-thiadiazole
CID 79604486
3-[(1S)-1-methoxyethyl]-1,2,4-thiadiazol-5-amine
CID 97049119
3-[(1R)-1-methoxyethyl]-1,2,4-thiadiazol-5-amine
CID 97049120
5-Bromo-3-(1-ethoxyethyl)-1,2,4-thiadiazole
CID 102617980
5-Bromo-3-(1-methoxyethyl)-1,2,4-thiadiazole
CID 102618090
5-Bromo-3-(1-methoxypropyl)-1,2,4-thiadiazole
CID 102618114
5-Bromo-3-(1-ethoxybutyl)-1,2,4-thiadiazole
CID 102618119
5-Bromo-3-(1-ethoxypropyl)-1,2,4-thiadiazole
CID 102618120
5-Bromo-3-(1-methoxybutyl)-1,2,4-thiadiazole
CID 102618277
5-Bromo-3-[cyclopropyl(methoxy)methyl]-1,2,4-thiadiazole
CID 102618283

Frequently Asked Questions

What is the IUPAC name of 5-iodo-3-(1-methoxybutyl)-1,2,4-thiadiazole?
The IUPAC name of 5-iodo-3-(1-methoxybutyl)-1,2,4-thiadiazole (CID 102618729) is 5-iodo-3-(1-methoxybutyl)-1,2,4-thiadiazole.
What is the SMILES notation for 5-iodo-3-(1-methoxybutyl)-1,2,4-thiadiazole?
The canonical SMILES for 5-iodo-3-(1-methoxybutyl)-1,2,4-thiadiazole is CCCC(OC)c1nsc(I)n1.
What is the InChIKey of 5-iodo-3-(1-methoxybutyl)-1,2,4-thiadiazole?
The InChIKey is MFFJAFYZCVKESD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11IN2OS/c1-3-4-5(11-2)6-9-7(8)12-10-6/h5H,3-4H2,1-2H3.
What are the key properties of 5-iodo-3-(1-methoxybutyl)-1,2,4-thiadiazole?
5-iodo-3-(1-methoxybutyl)-1,2,4-thiadiazole has a molecular weight of 298.15 g/mol, XLogP of 2.63, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-3-(1-methoxybutyl)-1,2,4-thiadiazole is sourced from PubChem (CID 102618729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).