5-iodo-3-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-thiadiazole

C10H6F3IN2S — CID 102618418

IUPAC5-iodo-3-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-thiadiazole
SMILESFC(F)(F)c1cccc(Cc2nsc(I)n2)c1
InChIInChI=1S/C10H6F3IN2S/c11-10(12,13)7-3-1-2-6(4-7)5-8-15-9(14)17-16-8/h1-4H,5H2
InChIKeyWHTCJZJEDUHEPG-UHFFFAOYSA-N
MW370.14 g/mol
LogP3.75
Rot. Bonds2

About 5-iodo-3-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-thiadiazole

5-iodo-3-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-thiadiazole (PubChem CID 102618418) has the molecular formula C10H6F3IN2S and a molecular weight of 370.14 g/mol. Its IUPAC name is 5-iodo-3-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-thiadiazole.

Molecular Properties

Compound Name5-iodo-3-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-thiadiazole
PubChem CID102618418
Molecular FormulaC10H6F3IN2S
Molecular Weight370.14 g/mol
Exact Mass369.92
IUPAC Name5-iodo-3-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-thiadiazole
SMILESFC(F)(F)c1cccc(Cc2nsc(I)n2)c1
InChIInChI=1S/C10H6F3IN2S/c11-10(12,13)7-3-1-2-6(4-7)5-8-15-9(14)17-16-8/h1-4H,5H2
InChIKeyWHTCJZJEDUHEPG-UHFFFAOYSA-N
XLogP3.75
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.14
LogP ≤ 53.75
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

4,6-dichloro-5-iodo-2-[[3-(trifluoromethyl)phenyl]methyl]pyrimidine
CID 66316212
2-[[3-(trifluoromethyl)phenyl]methyl]pyrimidine
CID 121010377
4-(trifluoromethyl)-6-[[3-(trifluoromethyl)phenyl]methyl]-1,3,5-triazin-2-amine
CID 58040029
6-ethyl-5-iodo-2-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-amine
CID 66299270
5-iodo-3-[(4-methylphenyl)methyl]-1,2,4-thiadiazole
CID 102618309
2-chloro-4-ethoxy-6-[[3-(trifluoromethyl)phenyl]methyl]-1,3,5-triazine
CID 58039427
[2-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-yl]hydrazine
CID 14685626
2-chloro-4-propyl-6-[[3-(trifluoromethyl)phenyl]methyl]-1,3,5-triazine
CID 58040421
5-bromo-2-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-amine
CID 66301823
4-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-thiadiazol-3-yl]-1H-pyridin-2-one
CID 159038267
2-[(4-fluorophenyl)methyl]-4-[3-(trifluoromethyl)phenyl]-6-[[3-(trifluoromethyl)phenyl]methyl]-1,3,5-triazine
CID 87237269
4-[3-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazol-5-yl]-1H-pyridin-2-one
CID 157478881

Frequently Asked Questions

What is the IUPAC name of 5-iodo-3-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-thiadiazole?
The IUPAC name of 5-iodo-3-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-thiadiazole (CID 102618418) is 5-iodo-3-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-thiadiazole.
What is the SMILES notation for 5-iodo-3-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-thiadiazole?
The canonical SMILES for 5-iodo-3-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-thiadiazole is FC(F)(F)c1cccc(Cc2nsc(I)n2)c1.
What is the InChIKey of 5-iodo-3-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-thiadiazole?
The InChIKey is WHTCJZJEDUHEPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6F3IN2S/c11-10(12,13)7-3-1-2-6(4-7)5-8-15-9(14)17-16-8/h1-4H,5H2.
What are the key properties of 5-iodo-3-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-thiadiazole?
5-iodo-3-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-thiadiazole has a molecular weight of 370.14 g/mol, XLogP of 3.75, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-3-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-thiadiazole is sourced from PubChem (CID 102618418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).