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

C9H4F3IN2OS — CID 102943740

IUPAC3-iodo-5-[4-(trifluoromethoxy)phenyl]-1,2,4-thiadiazole
SMILESFC(F)(F)Oc1ccc(-c2nc(I)ns2)cc1
InChIInChI=1S/C9H4F3IN2OS/c10-9(11,12)16-6-3-1-5(2-4-6)7-14-8(13)15-17-7/h1-4H
InChIKeyFJIOJJSVRNYXRC-UHFFFAOYSA-N
MW372.11 g/mol
LogP3.71
Rot. Bonds2

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

3-iodo-5-[4-(trifluoromethoxy)phenyl]-1,2,4-thiadiazole (PubChem CID 102943740) has the molecular formula C9H4F3IN2OS and a molecular weight of 372.11 g/mol. Its IUPAC name is 3-iodo-5-[4-(trifluoromethoxy)phenyl]-1,2,4-thiadiazole.

Molecular Properties

Compound Name3-iodo-5-[4-(trifluoromethoxy)phenyl]-1,2,4-thiadiazole
PubChem CID102943740
Molecular FormulaC9H4F3IN2OS
Molecular Weight372.11 g/mol
Exact Mass371.90
IUPAC Name3-iodo-5-[4-(trifluoromethoxy)phenyl]-1,2,4-thiadiazole
SMILESFC(F)(F)Oc1ccc(-c2nc(I)ns2)cc1
InChIInChI=1S/C9H4F3IN2OS/c10-9(11,12)16-6-3-1-5(2-4-6)7-14-8(13)15-17-7/h1-4H
InChIKeyFJIOJJSVRNYXRC-UHFFFAOYSA-N
XLogP3.71
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.11
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-[4-(trifluoromethoxy)phenyl]-1,2,4-thiadiazole-3-carboxylic acid
CID 22229256
5-(chloromethyl)-3-[4-(trifluoromethoxy)phenyl]-1,2,4-thiadiazole
CID 22229305
4-iodo-2-[4-(trifluoromethoxy)phenyl]-6-(trifluoromethyl)pyridine
CID 118799175
2,6-bis[4-(trifluoromethoxy)phenyl]-4-(trifluoromethyl)pyridine
CID 134618302
2-iodo-4-[4-(trifluoromethoxy)phenyl]-6-(trifluoromethyl)pyridine
CID 134620511
1-ethyl-4-[4-(trifluoromethoxy)phenyl]benzene
CID 19436313
5-iodo-2-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine
CID 66297036
2-methyl-4-[4-(trifluoromethoxy)phenyl]-1,3-oxazole
CID 59726235
1-methoxy-4-[4-[4-(trifluoromethoxy)phenoxy]phenyl]benzene
CID 59726185
[4-[4-(trifluoromethoxy)phenyl]-1,3-oxazol-2-yl]methanamine;hydrochloride
CID 157332265
4-iodo-1-(trideuteriomethyl)-5-[4-(trifluoromethoxy)phenyl]pyrazole
CID 171577469
2-[4-(trifluoromethoxy)phenyl]-1,3-benzothiazole-5-carbaldehyde
CID 122424122

Frequently Asked Questions

What is the IUPAC name of 3-iodo-5-[4-(trifluoromethoxy)phenyl]-1,2,4-thiadiazole?
The IUPAC name of 3-iodo-5-[4-(trifluoromethoxy)phenyl]-1,2,4-thiadiazole (CID 102943740) is 3-iodo-5-[4-(trifluoromethoxy)phenyl]-1,2,4-thiadiazole.
What is the SMILES notation for 3-iodo-5-[4-(trifluoromethoxy)phenyl]-1,2,4-thiadiazole?
The canonical SMILES for 3-iodo-5-[4-(trifluoromethoxy)phenyl]-1,2,4-thiadiazole is FC(F)(F)Oc1ccc(-c2nc(I)ns2)cc1.
What is the InChIKey of 3-iodo-5-[4-(trifluoromethoxy)phenyl]-1,2,4-thiadiazole?
The InChIKey is FJIOJJSVRNYXRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H4F3IN2OS/c10-9(11,12)16-6-3-1-5(2-4-6)7-14-8(13)15-17-7/h1-4H.
What are the key properties of 3-iodo-5-[4-(trifluoromethoxy)phenyl]-1,2,4-thiadiazole?
3-iodo-5-[4-(trifluoromethoxy)phenyl]-1,2,4-thiadiazole has a molecular weight of 372.11 g/mol, XLogP of 3.71, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-iodo-5-[4-(trifluoromethoxy)phenyl]-1,2,4-thiadiazole is sourced from PubChem (CID 102943740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).