5-ethyl-4-(iodomethyl)thiadiazole

C5H7IN2S — CID 141237839

IUPAC5-ethyl-4-(iodomethyl)thiadiazole
SMILESCCc1snnc1CI
InChIInChI=1S/C5H7IN2S/c1-2-5-4(3-6)7-8-9-5/h2-3H2,1H3
InChIKeyTWNFINYPSJDYLH-UHFFFAOYSA-N
MW254.10 g/mol
LogP2.04
Rot. Bonds2

About 5-ethyl-4-(iodomethyl)thiadiazole

5-ethyl-4-(iodomethyl)thiadiazole (PubChem CID 141237839) has the molecular formula C5H7IN2S and a molecular weight of 254.10 g/mol. Its IUPAC name is 5-ethyl-4-(iodomethyl)thiadiazole.

Molecular Properties

Compound Name5-ethyl-4-(iodomethyl)thiadiazole
PubChem CID141237839
Molecular FormulaC5H7IN2S
Molecular Weight254.10 g/mol
Exact Mass253.94
IUPAC Name5-ethyl-4-(iodomethyl)thiadiazole
SMILESCCc1snnc1CI
InChIInChI=1S/C5H7IN2S/c1-2-5-4(3-6)7-8-9-5/h2-3H2,1H3
InChIKeyTWNFINYPSJDYLH-UHFFFAOYSA-N
XLogP2.04
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.10
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-4-(iodomethyl)thiadiazole?
The IUPAC name of 5-ethyl-4-(iodomethyl)thiadiazole (CID 141237839) is 5-ethyl-4-(iodomethyl)thiadiazole.
What is the SMILES notation for 5-ethyl-4-(iodomethyl)thiadiazole?
The canonical SMILES for 5-ethyl-4-(iodomethyl)thiadiazole is CCc1snnc1CI.
What is the InChIKey of 5-ethyl-4-(iodomethyl)thiadiazole?
The InChIKey is TWNFINYPSJDYLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7IN2S/c1-2-5-4(3-6)7-8-9-5/h2-3H2,1H3.
What are the key properties of 5-ethyl-4-(iodomethyl)thiadiazole?
5-ethyl-4-(iodomethyl)thiadiazole has a molecular weight of 254.10 g/mol, XLogP of 2.04, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-4-(iodomethyl)thiadiazole is sourced from PubChem (CID 141237839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).