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

C8H3Cl2FN2S — CID 107993526

IUPAC2-chloro-5-(4-chloro-3-fluorophenyl)-1,3,4-thiadiazole
SMILESFc1cc(-c2nnc(Cl)s2)ccc1Cl
InChIInChI=1S/C8H3Cl2FN2S/c9-5-2-1-4(3-6(5)11)7-12-13-8(10)14-7/h1-3H
InChIKeyMWPPYSGZPOUKPW-UHFFFAOYSA-N
MW249.10 g/mol
LogP3.65
Rot. Bonds1

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

2-chloro-5-(4-chloro-3-fluorophenyl)-1,3,4-thiadiazole (PubChem CID 107993526) has the molecular formula C8H3Cl2FN2S and a molecular weight of 249.10 g/mol. Its IUPAC name is 2-chloro-5-(4-chloro-3-fluorophenyl)-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-chloro-5-(4-chloro-3-fluorophenyl)-1,3,4-thiadiazole
PubChem CID107993526
Molecular FormulaC8H3Cl2FN2S
Molecular Weight249.10 g/mol
Exact Mass247.94
IUPAC Name2-chloro-5-(4-chloro-3-fluorophenyl)-1,3,4-thiadiazole
SMILESFc1cc(-c2nnc(Cl)s2)ccc1Cl
InChIInChI=1S/C8H3Cl2FN2S/c9-5-2-1-4(3-6(5)11)7-12-13-8(10)14-7/h1-3H
InChIKeyMWPPYSGZPOUKPW-UHFFFAOYSA-N
XLogP3.65
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.10
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-(4-Chlorophenyl)-1,3,4-thiadiazol-2-amine
CID 668392
5-(2,4-Dichlorophenyl)-1,3,4-thiadiazol-2-amine
CID 182638
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-[5-(4-Chlorophenyl)-1,3,4-thiadiazol-2-yl]guanidine;hydrochloride
CID 45263106
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-Bromo-5-[(4-chlorophenyl)methyl]-1,3,4-thiadiazole
CID 63383843
2-Chloro-5-(3-fluorophenyl)-1,3,4-thiadiazole
CID 13318779

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(4-chloro-3-fluorophenyl)-1,3,4-thiadiazole?
The IUPAC name of 2-chloro-5-(4-chloro-3-fluorophenyl)-1,3,4-thiadiazole (CID 107993526) is 2-chloro-5-(4-chloro-3-fluorophenyl)-1,3,4-thiadiazole.
What is the SMILES notation for 2-chloro-5-(4-chloro-3-fluorophenyl)-1,3,4-thiadiazole?
The canonical SMILES for 2-chloro-5-(4-chloro-3-fluorophenyl)-1,3,4-thiadiazole is Fc1cc(-c2nnc(Cl)s2)ccc1Cl.
What is the InChIKey of 2-chloro-5-(4-chloro-3-fluorophenyl)-1,3,4-thiadiazole?
The InChIKey is MWPPYSGZPOUKPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3Cl2FN2S/c9-5-2-1-4(3-6(5)11)7-12-13-8(10)14-7/h1-3H.
What are the key properties of 2-chloro-5-(4-chloro-3-fluorophenyl)-1,3,4-thiadiazole?
2-chloro-5-(4-chloro-3-fluorophenyl)-1,3,4-thiadiazole has a molecular weight of 249.10 g/mol, XLogP of 3.65, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(4-chloro-3-fluorophenyl)-1,3,4-thiadiazole is sourced from PubChem (CID 107993526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).