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

C8H3Cl2IN2S — CID 102943754

IUPAC5-(2,5-dichlorophenyl)-3-iodo-1,2,4-thiadiazole
SMILESClc1ccc(Cl)c(-c2nc(I)ns2)c1
InChIInChI=1S/C8H3Cl2IN2S/c9-4-1-2-6(10)5(3-4)7-12-8(11)13-14-7/h1-3H
InChIKeyBYHSXXZTKMUPIU-UHFFFAOYSA-N
MW357.00 g/mol
LogP4.12
Rot. Bonds1

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

5-(2,5-dichlorophenyl)-3-iodo-1,2,4-thiadiazole (PubChem CID 102943754) has the molecular formula C8H3Cl2IN2S and a molecular weight of 357.00 g/mol. Its IUPAC name is 5-(2,5-dichlorophenyl)-3-iodo-1,2,4-thiadiazole.

Molecular Properties

Compound Name5-(2,5-dichlorophenyl)-3-iodo-1,2,4-thiadiazole
PubChem CID102943754
Molecular FormulaC8H3Cl2IN2S
Molecular Weight357.00 g/mol
Exact Mass355.84
IUPAC Name5-(2,5-dichlorophenyl)-3-iodo-1,2,4-thiadiazole
SMILESClc1ccc(Cl)c(-c2nc(I)ns2)c1
InChIInChI=1S/C8H3Cl2IN2S/c9-4-1-2-6(10)5(3-4)7-12-8(11)13-14-7/h1-3H
InChIKeyBYHSXXZTKMUPIU-UHFFFAOYSA-N
XLogP4.12
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.00
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-(2-chloro-5-fluorophenyl)-3-iodo-1,2,4-thiadiazole
CID 130678272
5-(2-chloro-4-fluorophenyl)-3-iodo-1,2,4-thiadiazole
CID 102943745
5-(4-bromo-2-chlorophenyl)-3-iodo-1,2,4-thiadiazole
CID 102943601
5-(4-chloro-3-methylphenyl)-3-iodo-1,2,4-thiadiazole
CID 102943546
5-(2,4-dibromophenyl)-3-iodo-1,2,4-thiadiazole
CID 107948670
5-(4-fluoro-3-methoxyphenyl)-3-iodo-1,2,4-thiadiazole
CID 102943827
2,6-dichloro-3-(2,5-dichlorophenyl)pyridine
CID 118999400
2-[6-(2,5-dichlorophenyl)-2-methyl-3-pyridinyl]propan-2-amine
CID 82452828
6-(2,5-dichlorophenyl)-3-(methylsulfanylmethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 135638091
[2-chloro-6-(2,5-dichlorophenyl)-4-pyridinyl]methanol
CID 119006954
2-(2,5-dichlorophenyl)-3-fluoro-5-iodopyridine
CID 118813724
methane;1,2,4-trichlorobenzene
CID 157397102

Frequently Asked Questions

What is the IUPAC name of 5-(2,5-dichlorophenyl)-3-iodo-1,2,4-thiadiazole?
The IUPAC name of 5-(2,5-dichlorophenyl)-3-iodo-1,2,4-thiadiazole (CID 102943754) is 5-(2,5-dichlorophenyl)-3-iodo-1,2,4-thiadiazole.
What is the SMILES notation for 5-(2,5-dichlorophenyl)-3-iodo-1,2,4-thiadiazole?
The canonical SMILES for 5-(2,5-dichlorophenyl)-3-iodo-1,2,4-thiadiazole is Clc1ccc(Cl)c(-c2nc(I)ns2)c1.
What is the InChIKey of 5-(2,5-dichlorophenyl)-3-iodo-1,2,4-thiadiazole?
The InChIKey is BYHSXXZTKMUPIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3Cl2IN2S/c9-4-1-2-6(10)5(3-4)7-12-8(11)13-14-7/h1-3H.
What are the key properties of 5-(2,5-dichlorophenyl)-3-iodo-1,2,4-thiadiazole?
5-(2,5-dichlorophenyl)-3-iodo-1,2,4-thiadiazole has a molecular weight of 357.00 g/mol, XLogP of 4.12, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,5-dichlorophenyl)-3-iodo-1,2,4-thiadiazole is sourced from PubChem (CID 102943754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).