5-iodo-3-(2,2,2-trifluoroethyl)-1,2,4-thiadiazole

C4H2F3IN2S — CID 102618608

IUPAC5-iodo-3-(2,2,2-trifluoroethyl)-1,2,4-thiadiazole
SMILESFC(F)(F)Cc1nsc(I)n1
InChIInChI=1S/C4H2F3IN2S/c5-4(6,7)1-2-9-3(8)11-10-2/h1H2
InChIKeyKTXABNHXAGADFC-UHFFFAOYSA-N
MW294.04 g/mol
LogP2.25
Rot. Bonds1

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

5-iodo-3-(2,2,2-trifluoroethyl)-1,2,4-thiadiazole (PubChem CID 102618608) has the molecular formula C4H2F3IN2S and a molecular weight of 294.04 g/mol. Its IUPAC name is 5-iodo-3-(2,2,2-trifluoroethyl)-1,2,4-thiadiazole.

Molecular Properties

Compound Name5-iodo-3-(2,2,2-trifluoroethyl)-1,2,4-thiadiazole
PubChem CID102618608
Molecular FormulaC4H2F3IN2S
Molecular Weight294.04 g/mol
Exact Mass293.89
IUPAC Name5-iodo-3-(2,2,2-trifluoroethyl)-1,2,4-thiadiazole
SMILESFC(F)(F)Cc1nsc(I)n1
InChIInChI=1S/C4H2F3IN2S/c5-4(6,7)1-2-9-3(8)11-10-2/h1H2
InChIKeyKTXABNHXAGADFC-UHFFFAOYSA-N
XLogP2.25
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.04
LogP ≤ 52.25
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-iodo-3-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-thiadiazole
CID 102618418
5-iodo-3-[(4-methylphenyl)methyl]-1,2,4-thiadiazole
CID 102618309
4,5,6-trifluoro-2-(2,2,2-trifluoroethyl)pyrimidine
CID 163418712
5-iodo-6-methyl-2-(2,2,2-trifluoroethyl)pyrimidin-4-amine
CID 66307691
[3-(2,2,2-trifluoroethyl)-1H-1,2,4-triazol-5-yl]methanol
CID 79601230
3-[(2-bromophenyl)sulfanylmethyl]-5-iodo-1,2,4-thiadiazole
CID 102618710
4-tert-butyl-6-chloro-5-iodo-2-(2,2,2-trifluoroethyl)pyrimidine
CID 66292573
5-iodo-3-[(6-methoxy-3-pyridinyl)methyl]-1,2,4-thiadiazole
CID 102618449
3-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]-5,6-dihydro-4H-cyclopenta[b]thiophen-2-amine
CID 61392957
2,3,5,6-tetrafluoro-4-(2,2,2-trifluoroethyl)pyridine
CID 15063668
4,5-dimethyl-3-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine
CID 61392883
4-chloro-5-iodo-6-(methoxymethyl)-2-(2,2,2-trifluoroethyl)pyrimidine
CID 66293865

Frequently Asked Questions

What is the IUPAC name of 5-iodo-3-(2,2,2-trifluoroethyl)-1,2,4-thiadiazole?
The IUPAC name of 5-iodo-3-(2,2,2-trifluoroethyl)-1,2,4-thiadiazole (CID 102618608) is 5-iodo-3-(2,2,2-trifluoroethyl)-1,2,4-thiadiazole.
What is the SMILES notation for 5-iodo-3-(2,2,2-trifluoroethyl)-1,2,4-thiadiazole?
The canonical SMILES for 5-iodo-3-(2,2,2-trifluoroethyl)-1,2,4-thiadiazole is FC(F)(F)Cc1nsc(I)n1.
What is the InChIKey of 5-iodo-3-(2,2,2-trifluoroethyl)-1,2,4-thiadiazole?
The InChIKey is KTXABNHXAGADFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H2F3IN2S/c5-4(6,7)1-2-9-3(8)11-10-2/h1H2.
What are the key properties of 5-iodo-3-(2,2,2-trifluoroethyl)-1,2,4-thiadiazole?
5-iodo-3-(2,2,2-trifluoroethyl)-1,2,4-thiadiazole has a molecular weight of 294.04 g/mol, XLogP of 2.25, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-3-(2,2,2-trifluoroethyl)-1,2,4-thiadiazole is sourced from PubChem (CID 102618608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).