2-iodo-5-phenyl-1,3,4-thiadiazole

C8H5IN2S — CID 63384141

IUPAC2-iodo-5-phenyl-1,3,4-thiadiazole
SMILESIc1nnc(-c2ccccc2)s1
InChIInChI=1S/C8H5IN2S/c9-8-11-10-7(12-8)6-4-2-1-3-5-6/h1-5H
InChIKeyIFVKWGPPUVZVRY-UHFFFAOYSA-N
MW288.11 g/mol
LogP2.81
Rot. Bonds1

About 2-iodo-5-phenyl-1,3,4-thiadiazole

2-iodo-5-phenyl-1,3,4-thiadiazole (PubChem CID 63384141) has the molecular formula C8H5IN2S and a molecular weight of 288.11 g/mol. Its IUPAC name is 2-iodo-5-phenyl-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-iodo-5-phenyl-1,3,4-thiadiazole
PubChem CID63384141
Molecular FormulaC8H5IN2S
Molecular Weight288.11 g/mol
Exact Mass287.92
IUPAC Name2-iodo-5-phenyl-1,3,4-thiadiazole
SMILESIc1nnc(-c2ccccc2)s1
InChIInChI=1S/C8H5IN2S/c9-8-11-10-7(12-8)6-4-2-1-3-5-6/h1-5H
InChIKeyIFVKWGPPUVZVRY-UHFFFAOYSA-N
XLogP2.81
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.11
LogP ≤ 52.81
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

2-Amino-5-phenyl-1,3,4-thiadiazole
CID 219408
5-(3-Fluorophenyl)-1,3,4-thiadiazol-2-amine
CID 848588
1,3,4-Thiadiazole, 2,5-diphenyl-
CID 15080
2-Amino-5-(4-methylphenyl)-1,3,4-thiadiazole
CID 605582
2-Amino-5-(4-fluorophenyl)-1,3,4-thiadiazole
CID 554208
5-(2-Fluorophenyl)-1,3,4-thiadiazol-2-amine
CID 554209
2-Methyl-5-phenyl-1,3,4-thiadiazole
CID 97425
1,3,4-Thiadiazole, 2-methoxy-5-phenyl-
CID 849918
2-Phenyl-1,3,4-thiadiazole
CID 199501
2-Chloro-5-phenyl-1,3,4-thiadiazole
CID 253145
2-Bromo-5-phenyl-1,3,4-thiadiazole
CID 13104117
1,3,4-Thiadiazole, 2-(methylsulfonyl)-5-phenyl-
CID 290120

Frequently Asked Questions

What is the IUPAC name of 2-iodo-5-phenyl-1,3,4-thiadiazole?
The IUPAC name of 2-iodo-5-phenyl-1,3,4-thiadiazole (CID 63384141) is 2-iodo-5-phenyl-1,3,4-thiadiazole.
What is the SMILES notation for 2-iodo-5-phenyl-1,3,4-thiadiazole?
The canonical SMILES for 2-iodo-5-phenyl-1,3,4-thiadiazole is Ic1nnc(-c2ccccc2)s1.
What is the InChIKey of 2-iodo-5-phenyl-1,3,4-thiadiazole?
The InChIKey is IFVKWGPPUVZVRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5IN2S/c9-8-11-10-7(12-8)6-4-2-1-3-5-6/h1-5H.
What are the key properties of 2-iodo-5-phenyl-1,3,4-thiadiazole?
2-iodo-5-phenyl-1,3,4-thiadiazole has a molecular weight of 288.11 g/mol, XLogP of 2.81, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodo-5-phenyl-1,3,4-thiadiazole is sourced from PubChem (CID 63384141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).