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

C8H3BrFIN2S — CID 107282997

IUPAC3-(2-bromo-4-fluorophenyl)-5-iodo-1,2,4-thiadiazole
SMILESFc1ccc(-c2nsc(I)n2)c(Br)c1
InChIInChI=1S/C8H3BrFIN2S/c9-6-3-4(10)1-2-5(6)7-12-8(11)14-13-7/h1-3H
InChIKeyNRCNINSWKFCKBX-UHFFFAOYSA-N
MW385.00 g/mol
LogP3.71
Rot. Bonds1

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

3-(2-bromo-4-fluorophenyl)-5-iodo-1,2,4-thiadiazole (PubChem CID 107282997) has the molecular formula C8H3BrFIN2S and a molecular weight of 385.00 g/mol. Its IUPAC name is 3-(2-bromo-4-fluorophenyl)-5-iodo-1,2,4-thiadiazole.

Molecular Properties

Compound Name3-(2-bromo-4-fluorophenyl)-5-iodo-1,2,4-thiadiazole
PubChem CID107282997
Molecular FormulaC8H3BrFIN2S
Molecular Weight385.00 g/mol
Exact Mass383.82
IUPAC Name3-(2-bromo-4-fluorophenyl)-5-iodo-1,2,4-thiadiazole
SMILESFc1ccc(-c2nsc(I)n2)c(Br)c1
InChIInChI=1S/C8H3BrFIN2S/c9-6-3-4(10)1-2-5(6)7-12-8(11)14-13-7/h1-3H
InChIKeyNRCNINSWKFCKBX-UHFFFAOYSA-N
XLogP3.71
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.00
LogP ≤ 53.71
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

3-(2-bromo-4-fluorophenyl)-5-chloro-1,2,4-thiadiazole
CID 107282995
3-(3-bromo-4-pyridinyl)-5-iodo-1,2,4-thiadiazole
CID 131092059
3-(3,5-difluorophenyl)-5-iodo-1,2,4-thiadiazole
CID 102618587
4-[3-(2-bromo-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N,3-dimethyl-1,2-thiazol-5-amine
CID 107280112
3-(2-bromo-5-fluorophenyl)-N-ethyl-1,2,4-thiadiazol-5-amine
CID 107924739
2-(2-bromo-4-fluorophenyl)-4-(chloromethyl)pyrimidine
CID 107282777
[2-(2-bromo-4-fluorophenyl)pyrimidin-4-yl]hydrazine
CID 107281505
2-(2-bromo-4-fluorophenyl)-6-ethyl-5-iodo-N-propylpyrimidin-4-amine
CID 107281453
5-(2,4-difluorophenyl)-3-iodo-1,2,4-thiadiazole
CID 102943629
4-[3-(2-bromo-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-3-fluoroaniline
CID 107795657
5-bromo-2-(2-bromo-4-fluorophenyl)-6-cyclopropylpyrimidin-4-amine
CID 107281472
2-(2-bromo-4-fluorophenyl)-N-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
CID 107281484

Frequently Asked Questions

What is the IUPAC name of 3-(2-bromo-4-fluorophenyl)-5-iodo-1,2,4-thiadiazole?
The IUPAC name of 3-(2-bromo-4-fluorophenyl)-5-iodo-1,2,4-thiadiazole (CID 107282997) is 3-(2-bromo-4-fluorophenyl)-5-iodo-1,2,4-thiadiazole.
What is the SMILES notation for 3-(2-bromo-4-fluorophenyl)-5-iodo-1,2,4-thiadiazole?
The canonical SMILES for 3-(2-bromo-4-fluorophenyl)-5-iodo-1,2,4-thiadiazole is Fc1ccc(-c2nsc(I)n2)c(Br)c1.
What is the InChIKey of 3-(2-bromo-4-fluorophenyl)-5-iodo-1,2,4-thiadiazole?
The InChIKey is NRCNINSWKFCKBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3BrFIN2S/c9-6-3-4(10)1-2-5(6)7-12-8(11)14-13-7/h1-3H.
What are the key properties of 3-(2-bromo-4-fluorophenyl)-5-iodo-1,2,4-thiadiazole?
3-(2-bromo-4-fluorophenyl)-5-iodo-1,2,4-thiadiazole has a molecular weight of 385.00 g/mol, XLogP of 3.71, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bromo-4-fluorophenyl)-5-iodo-1,2,4-thiadiazole is sourced from PubChem (CID 107282997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).