5-chloro-4-(iodomethyl)thiadiazole

C3H2ClIN2S — CID 64786414

IUPAC5-chloro-4-(iodomethyl)thiadiazole
SMILESClc1snnc1CI
InChIInChI=1S/C3H2ClIN2S/c4-3-2(1-5)6-7-8-3/h1H2
InChIKeyICKVCNFKYCVZSV-UHFFFAOYSA-N
MW260.49 g/mol
LogP2.13
Rot. Bonds1

About 5-chloro-4-(iodomethyl)thiadiazole

5-chloro-4-(iodomethyl)thiadiazole (PubChem CID 64786414) has the molecular formula C3H2ClIN2S and a molecular weight of 260.49 g/mol. Its IUPAC name is 5-chloro-4-(iodomethyl)thiadiazole.

Molecular Properties

Compound Name5-chloro-4-(iodomethyl)thiadiazole
PubChem CID64786414
Molecular FormulaC3H2ClIN2S
Molecular Weight260.49 g/mol
Exact Mass259.87
IUPAC Name5-chloro-4-(iodomethyl)thiadiazole
SMILESClc1snnc1CI
InChIInChI=1S/C3H2ClIN2S/c4-3-2(1-5)6-7-8-3/h1H2
InChIKeyICKVCNFKYCVZSV-UHFFFAOYSA-N
XLogP2.13
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.49
LogP ≤ 52.13
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-chloro-4-(iodomethyl)thiadiazole?
The IUPAC name of 5-chloro-4-(iodomethyl)thiadiazole (CID 64786414) is 5-chloro-4-(iodomethyl)thiadiazole.
What is the SMILES notation for 5-chloro-4-(iodomethyl)thiadiazole?
The canonical SMILES for 5-chloro-4-(iodomethyl)thiadiazole is Clc1snnc1CI.
What is the InChIKey of 5-chloro-4-(iodomethyl)thiadiazole?
The InChIKey is ICKVCNFKYCVZSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H2ClIN2S/c4-3-2(1-5)6-7-8-3/h1H2.
What are the key properties of 5-chloro-4-(iodomethyl)thiadiazole?
5-chloro-4-(iodomethyl)thiadiazole has a molecular weight of 260.49 g/mol, XLogP of 2.13, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-(iodomethyl)thiadiazole is sourced from PubChem (CID 64786414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).