2-(4-iodopyrazol-1-yl)-5-(trifluoromethyl)-1,3,4-thiadiazole

C6H2F3IN4S — CID 114450040

IUPAC2-(4-iodopyrazol-1-yl)-5-(trifluoromethyl)-1,3,4-thiadiazole
SMILESFC(F)(F)c1nnc(-n2cc(I)cn2)s1
InChIInChI=1S/C6H2F3IN4S/c7-6(8,9)4-12-13-5(15-4)14-2-3(10)1-11-14/h1-2H
InChIKeyINGKQPCNSHLMCA-UHFFFAOYSA-N
MW346.08 g/mol
LogP2.35
Rot. Bonds1

About 2-(4-iodopyrazol-1-yl)-5-(trifluoromethyl)-1,3,4-thiadiazole

2-(4-iodopyrazol-1-yl)-5-(trifluoromethyl)-1,3,4-thiadiazole (PubChem CID 114450040) has the molecular formula C6H2F3IN4S and a molecular weight of 346.08 g/mol. Its IUPAC name is 2-(4-iodopyrazol-1-yl)-5-(trifluoromethyl)-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-(4-iodopyrazol-1-yl)-5-(trifluoromethyl)-1,3,4-thiadiazole
PubChem CID114450040
Molecular FormulaC6H2F3IN4S
Molecular Weight346.08 g/mol
Exact Mass345.90
IUPAC Name2-(4-iodopyrazol-1-yl)-5-(trifluoromethyl)-1,3,4-thiadiazole
SMILESFC(F)(F)c1nnc(-n2cc(I)cn2)s1
InChIInChI=1S/C6H2F3IN4S/c7-6(8,9)4-12-13-5(15-4)14-2-3(10)1-11-14/h1-2H
InChIKeyINGKQPCNSHLMCA-UHFFFAOYSA-N
XLogP2.35
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.08
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(4-iodopyrazol-1-yl)-5-(trifluoromethyl)-1,3,4-thiadiazole?
The IUPAC name of 2-(4-iodopyrazol-1-yl)-5-(trifluoromethyl)-1,3,4-thiadiazole (CID 114450040) is 2-(4-iodopyrazol-1-yl)-5-(trifluoromethyl)-1,3,4-thiadiazole.
What is the SMILES notation for 2-(4-iodopyrazol-1-yl)-5-(trifluoromethyl)-1,3,4-thiadiazole?
The canonical SMILES for 2-(4-iodopyrazol-1-yl)-5-(trifluoromethyl)-1,3,4-thiadiazole is FC(F)(F)c1nnc(-n2cc(I)cn2)s1.
What is the InChIKey of 2-(4-iodopyrazol-1-yl)-5-(trifluoromethyl)-1,3,4-thiadiazole?
The InChIKey is INGKQPCNSHLMCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2F3IN4S/c7-6(8,9)4-12-13-5(15-4)14-2-3(10)1-11-14/h1-2H.
What are the key properties of 2-(4-iodopyrazol-1-yl)-5-(trifluoromethyl)-1,3,4-thiadiazole?
2-(4-iodopyrazol-1-yl)-5-(trifluoromethyl)-1,3,4-thiadiazole has a molecular weight of 346.08 g/mol, XLogP of 2.35, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-iodopyrazol-1-yl)-5-(trifluoromethyl)-1,3,4-thiadiazole is sourced from PubChem (CID 114450040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).