2-(difluoromethyl)-5-(5-iodothiophen-2-yl)-1,3,4-oxadiazole

C7H3F2IN2OS — CID 170733935

IUPAC2-(difluoromethyl)-5-(5-iodothiophen-2-yl)-1,3,4-oxadiazole
SMILESFC(F)c1nnc(-c2ccc(I)s2)o1
InChIInChI=1S/C7H3F2IN2OS/c8-5(9)7-12-11-6(13-7)3-1-2-4(10)14-3/h1-2,5H
InChIKeyQZNRLPSTNNREDR-UHFFFAOYSA-N
MW328.08 g/mol
LogP3.34
Rot. Bonds2

About 2-(difluoromethyl)-5-(5-iodothiophen-2-yl)-1,3,4-oxadiazole

2-(difluoromethyl)-5-(5-iodothiophen-2-yl)-1,3,4-oxadiazole (PubChem CID 170733935) has the molecular formula C7H3F2IN2OS and a molecular weight of 328.08 g/mol. Its IUPAC name is 2-(difluoromethyl)-5-(5-iodothiophen-2-yl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(difluoromethyl)-5-(5-iodothiophen-2-yl)-1,3,4-oxadiazole
PubChem CID170733935
Molecular FormulaC7H3F2IN2OS
Molecular Weight328.08 g/mol
Exact Mass327.90
IUPAC Name2-(difluoromethyl)-5-(5-iodothiophen-2-yl)-1,3,4-oxadiazole
SMILESFC(F)c1nnc(-c2ccc(I)s2)o1
InChIInChI=1S/C7H3F2IN2OS/c8-5(9)7-12-11-6(13-7)3-1-2-4(10)14-3/h1-2,5H
InChIKeyQZNRLPSTNNREDR-UHFFFAOYSA-N
XLogP3.34
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.08
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(difluoromethyl)-5-(5-iodothiophen-2-yl)-1,3,4-oxadiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-5-(5-iodothiophen-2-yl)-1,3,4-oxadiazole?
The IUPAC name of 2-(difluoromethyl)-5-(5-iodothiophen-2-yl)-1,3,4-oxadiazole (CID 170733935) is 2-(difluoromethyl)-5-(5-iodothiophen-2-yl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-(difluoromethyl)-5-(5-iodothiophen-2-yl)-1,3,4-oxadiazole?
The canonical SMILES for 2-(difluoromethyl)-5-(5-iodothiophen-2-yl)-1,3,4-oxadiazole is FC(F)c1nnc(-c2ccc(I)s2)o1.
What is the InChIKey of 2-(difluoromethyl)-5-(5-iodothiophen-2-yl)-1,3,4-oxadiazole?
The InChIKey is QZNRLPSTNNREDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3F2IN2OS/c8-5(9)7-12-11-6(13-7)3-1-2-4(10)14-3/h1-2,5H.
What are the key properties of 2-(difluoromethyl)-5-(5-iodothiophen-2-yl)-1,3,4-oxadiazole?
2-(difluoromethyl)-5-(5-iodothiophen-2-yl)-1,3,4-oxadiazole has a molecular weight of 328.08 g/mol, XLogP of 3.34, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-5-(5-iodothiophen-2-yl)-1,3,4-oxadiazole is sourced from PubChem (CID 170733935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).