2-(4-chloro-3-fluorophenyl)-5-iodo-1,3,4-thiadiazole

C8H3ClFIN2S — CID 107993537

IUPAC2-(4-chloro-3-fluorophenyl)-5-iodo-1,3,4-thiadiazole
SMILESFc1cc(-c2nnc(I)s2)ccc1Cl
InChIInChI=1S/C8H3ClFIN2S/c9-5-2-1-4(3-6(5)10)7-12-13-8(11)14-7/h1-3H
InChIKeyKSVLECLXYRZSDV-UHFFFAOYSA-N
MW340.55 g/mol
LogP3.60
Rot. Bonds1

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

2-(4-chloro-3-fluorophenyl)-5-iodo-1,3,4-thiadiazole (PubChem CID 107993537) has the molecular formula C8H3ClFIN2S and a molecular weight of 340.55 g/mol. Its IUPAC name is 2-(4-chloro-3-fluorophenyl)-5-iodo-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-(4-chloro-3-fluorophenyl)-5-iodo-1,3,4-thiadiazole
PubChem CID107993537
Molecular FormulaC8H3ClFIN2S
Molecular Weight340.55 g/mol
Exact Mass339.87
IUPAC Name2-(4-chloro-3-fluorophenyl)-5-iodo-1,3,4-thiadiazole
SMILESFc1cc(-c2nnc(I)s2)ccc1Cl
InChIInChI=1S/C8H3ClFIN2S/c9-5-2-1-4(3-6(5)10)7-12-13-8(11)14-7/h1-3H
InChIKeyKSVLECLXYRZSDV-UHFFFAOYSA-N
XLogP3.60
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.55
LogP ≤ 53.60
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-(4-Chlorophenyl)-1,3,4-thiadiazol-2-amine
CID 668392
2-Chloro-5-phenyl-1,3,4-thiadiazole
CID 253145
2-Chloro-5-(4-chlorophenyl)-1,3,4-thiadiazole
CID 13318775
Sbb059609
CID 2769382
2-Iodo-5-phenyl-1,3,4-thiadiazole
CID 63384141
2-Chloro-5-(2-fluorophenyl)-1,3,4-thiadiazole
CID 13318778
2-(4-Chlorophenyl)-1,3,4-thiadiazole
CID 12480365
5-(2-Chloro-4-fluorophenyl)-1,3,4-thiadiazol-2-amine
CID 974680
5-(2-Chloro-6-fluorophenyl)-1,3,4-thiadiazol-2-amine
CID 13142206
2-Chloro-5-(3-fluorophenyl)-1,3,4-thiadiazole
CID 13318779
2-Chloro-5-(4-fluorophenyl)-1,3,4-thiadiazole
CID 13318780
2-(2,4-Dichlorophenyl)-1,3,4-thiadiazole
CID 21750341

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3-fluorophenyl)-5-iodo-1,3,4-thiadiazole?
The IUPAC name of 2-(4-chloro-3-fluorophenyl)-5-iodo-1,3,4-thiadiazole (CID 107993537) is 2-(4-chloro-3-fluorophenyl)-5-iodo-1,3,4-thiadiazole.
What is the SMILES notation for 2-(4-chloro-3-fluorophenyl)-5-iodo-1,3,4-thiadiazole?
The canonical SMILES for 2-(4-chloro-3-fluorophenyl)-5-iodo-1,3,4-thiadiazole is Fc1cc(-c2nnc(I)s2)ccc1Cl.
What is the InChIKey of 2-(4-chloro-3-fluorophenyl)-5-iodo-1,3,4-thiadiazole?
The InChIKey is KSVLECLXYRZSDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3ClFIN2S/c9-5-2-1-4(3-6(5)10)7-12-13-8(11)14-7/h1-3H.
What are the key properties of 2-(4-chloro-3-fluorophenyl)-5-iodo-1,3,4-thiadiazole?
2-(4-chloro-3-fluorophenyl)-5-iodo-1,3,4-thiadiazole has a molecular weight of 340.55 g/mol, XLogP of 3.60, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3-fluorophenyl)-5-iodo-1,3,4-thiadiazole is sourced from PubChem (CID 107993537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).