5-(4-bromo-2-chlorophenyl)-3-iodo-1,2,4-thiadiazole

C8H3BrClIN2S — CID 102943601

IUPAC5-(4-bromo-2-chlorophenyl)-3-iodo-1,2,4-thiadiazole
SMILESClc1cc(Br)ccc1-c1nc(I)ns1
InChIInChI=1S/C8H3BrClIN2S/c9-4-1-2-5(6(10)3-4)7-12-8(11)13-14-7/h1-3H
InChIKeyQNGYQEDAVVKMIN-UHFFFAOYSA-N
MW401.45 g/mol
LogP4.23
Rot. Bonds1

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

5-(4-bromo-2-chlorophenyl)-3-iodo-1,2,4-thiadiazole (PubChem CID 102943601) has the molecular formula C8H3BrClIN2S and a molecular weight of 401.45 g/mol. Its IUPAC name is 5-(4-bromo-2-chlorophenyl)-3-iodo-1,2,4-thiadiazole.

Molecular Properties

Compound Name5-(4-bromo-2-chlorophenyl)-3-iodo-1,2,4-thiadiazole
PubChem CID102943601
Molecular FormulaC8H3BrClIN2S
Molecular Weight401.45 g/mol
Exact Mass399.79
IUPAC Name5-(4-bromo-2-chlorophenyl)-3-iodo-1,2,4-thiadiazole
SMILESClc1cc(Br)ccc1-c1nc(I)ns1
InChIInChI=1S/C8H3BrClIN2S/c9-4-1-2-5(6(10)3-4)7-12-8(11)13-14-7/h1-3H
InChIKeyQNGYQEDAVVKMIN-UHFFFAOYSA-N
XLogP4.23
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.45
LogP ≤ 54.23
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-(2,4-dibromophenyl)-3-iodo-1,2,4-thiadiazole
CID 107948670
5-(2-chloro-4-fluorophenyl)-3-iodo-1,2,4-thiadiazole
CID 102943745
5-(2,5-dichlorophenyl)-3-iodo-1,2,4-thiadiazole
CID 102943754
5-(2-chloro-5-fluorophenyl)-3-iodo-1,2,4-thiadiazole
CID 130678272
5-(4-bromo-2-fluorophenyl)-3-chloro-1,2,4-thiadiazole
CID 102944127
5-(2,4-dimethylphenyl)-3-iodo-1,2,4-thiadiazole
CID 102943757
5-(4-chloro-3-methylphenyl)-3-iodo-1,2,4-thiadiazole
CID 102943546
4-(1-benzofuran-2-yl)-2-(4-bromo-2-chlorophenyl)-1,3-thiazole
CID 146460725
4-bromo-2-chloro-1-phenylbenzene
CID 13457416
4-(5-bromo-1,3-benzothiazol-2-yl)-3-chloroaniline
CID 61398960
2-[2-(4-bromo-2-chlorophenyl)-1,3-thiazol-4-yl]-N-ethylethanamine
CID 114275704
[2-(4-bromo-2-chlorophenyl)-1,3-oxazol-4-yl]methanamine
CID 65289102

Frequently Asked Questions

What is the IUPAC name of 5-(4-bromo-2-chlorophenyl)-3-iodo-1,2,4-thiadiazole?
The IUPAC name of 5-(4-bromo-2-chlorophenyl)-3-iodo-1,2,4-thiadiazole (CID 102943601) is 5-(4-bromo-2-chlorophenyl)-3-iodo-1,2,4-thiadiazole.
What is the SMILES notation for 5-(4-bromo-2-chlorophenyl)-3-iodo-1,2,4-thiadiazole?
The canonical SMILES for 5-(4-bromo-2-chlorophenyl)-3-iodo-1,2,4-thiadiazole is Clc1cc(Br)ccc1-c1nc(I)ns1.
What is the InChIKey of 5-(4-bromo-2-chlorophenyl)-3-iodo-1,2,4-thiadiazole?
The InChIKey is QNGYQEDAVVKMIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3BrClIN2S/c9-4-1-2-5(6(10)3-4)7-12-8(11)13-14-7/h1-3H.
What are the key properties of 5-(4-bromo-2-chlorophenyl)-3-iodo-1,2,4-thiadiazole?
5-(4-bromo-2-chlorophenyl)-3-iodo-1,2,4-thiadiazole has a molecular weight of 401.45 g/mol, XLogP of 4.23, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromo-2-chlorophenyl)-3-iodo-1,2,4-thiadiazole is sourced from PubChem (CID 102943601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).