5-(2-chloro-4-fluorophenyl)-3-iodo-1,2,4-thiadiazole

C8H3ClFIN2S — CID 102943745

IUPAC5-(2-chloro-4-fluorophenyl)-3-iodo-1,2,4-thiadiazole
SMILESFc1ccc(-c2nc(I)ns2)c(Cl)c1
InChIInChI=1S/C8H3ClFIN2S/c9-6-3-4(10)1-2-5(6)7-12-8(11)13-14-7/h1-3H
InChIKeyPGUPNSCPWXCNMF-UHFFFAOYSA-N
MW340.55 g/mol
LogP3.60
Rot. Bonds1

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

5-(2-chloro-4-fluorophenyl)-3-iodo-1,2,4-thiadiazole (PubChem CID 102943745) has the molecular formula C8H3ClFIN2S and a molecular weight of 340.55 g/mol. Its IUPAC name is 5-(2-chloro-4-fluorophenyl)-3-iodo-1,2,4-thiadiazole.

Molecular Properties

Compound Name5-(2-chloro-4-fluorophenyl)-3-iodo-1,2,4-thiadiazole
PubChem CID102943745
Molecular FormulaC8H3ClFIN2S
Molecular Weight340.55 g/mol
Exact Mass339.87
IUPAC Name5-(2-chloro-4-fluorophenyl)-3-iodo-1,2,4-thiadiazole
SMILESFc1ccc(-c2nc(I)ns2)c(Cl)c1
InChIInChI=1S/C8H3ClFIN2S/c9-6-3-4(10)1-2-5(6)7-12-8(11)13-14-7/h1-3H
InChIKeyPGUPNSCPWXCNMF-UHFFFAOYSA-N
XLogP3.60
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.55
LogP ≤ 53.60
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-(2,4-difluorophenyl)-3-iodo-1,2,4-thiadiazole
CID 102943629
5-(4-bromo-2-chlorophenyl)-3-iodo-1,2,4-thiadiazole
CID 102943601
5-(2,5-dichlorophenyl)-3-iodo-1,2,4-thiadiazole
CID 102943754
5-(2,4-dibromophenyl)-3-iodo-1,2,4-thiadiazole
CID 107948670
2,4-dichloro-6-(2-chloro-4-fluorophenyl)-1,3,5-triazine
CID 115504981
5-(4-chloro-3-methylphenyl)-3-iodo-1,2,4-thiadiazole
CID 102943546
2-[2-(2-chloro-4-fluorophenyl)-1,3-thiazol-4-yl]ethanamine
CID 62944104
2-(2-chloro-4-fluorophenyl)-4-(methoxymethyl)-1,3-thiazole
CID 107511921
5-chloro-3-(2-chloro-4-fluorophenyl)-1,2,4-oxadiazole
CID 62944891
[2-(2-chloro-4-fluorophenyl)-4-phenyl-1,3-thiazol-5-yl]methanamine
CID 81177760
3-(2-bromo-4-fluorophenyl)-5-chloro-1,2,4-thiadiazole
CID 107282995

Frequently Asked Questions

What is the IUPAC name of 5-(2-chloro-4-fluorophenyl)-3-iodo-1,2,4-thiadiazole?
The IUPAC name of 5-(2-chloro-4-fluorophenyl)-3-iodo-1,2,4-thiadiazole (CID 102943745) is 5-(2-chloro-4-fluorophenyl)-3-iodo-1,2,4-thiadiazole.
What is the SMILES notation for 5-(2-chloro-4-fluorophenyl)-3-iodo-1,2,4-thiadiazole?
The canonical SMILES for 5-(2-chloro-4-fluorophenyl)-3-iodo-1,2,4-thiadiazole is Fc1ccc(-c2nc(I)ns2)c(Cl)c1.
What is the InChIKey of 5-(2-chloro-4-fluorophenyl)-3-iodo-1,2,4-thiadiazole?
The InChIKey is PGUPNSCPWXCNMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3ClFIN2S/c9-6-3-4(10)1-2-5(6)7-12-8(11)13-14-7/h1-3H.
What are the key properties of 5-(2-chloro-4-fluorophenyl)-3-iodo-1,2,4-thiadiazole?
5-(2-chloro-4-fluorophenyl)-3-iodo-1,2,4-thiadiazole has a molecular weight of 340.55 g/mol, XLogP of 3.60, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chloro-4-fluorophenyl)-3-iodo-1,2,4-thiadiazole is sourced from PubChem (CID 102943745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).