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

C8H4Cl2N2S — CID 46318469

IUPAC5-chloro-3-(3-chlorophenyl)-1,2,4-thiadiazole
SMILESClc1cccc(-c2nsc(Cl)n2)c1
InChIInChI=1S/C8H4Cl2N2S/c9-6-3-1-2-5(4-6)7-11-8(10)13-12-7/h1-4H
InChIKeyLMXPZTFQLJOINZ-UHFFFAOYSA-N
MW231.11 g/mol
LogP3.51
Rot. Bonds1

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

5-chloro-3-(3-chlorophenyl)-1,2,4-thiadiazole (PubChem CID 46318469) has the molecular formula C8H4Cl2N2S and a molecular weight of 231.11 g/mol. Its IUPAC name is 5-chloro-3-(3-chlorophenyl)-1,2,4-thiadiazole.

Molecular Properties

Compound Name5-chloro-3-(3-chlorophenyl)-1,2,4-thiadiazole
PubChem CID46318469
Molecular FormulaC8H4Cl2N2S
Molecular Weight231.11 g/mol
Exact Mass229.95
IUPAC Name5-chloro-3-(3-chlorophenyl)-1,2,4-thiadiazole
SMILESClc1cccc(-c2nsc(Cl)n2)c1
InChIInChI=1S/C8H4Cl2N2S/c9-6-3-1-2-5(4-6)7-11-8(10)13-12-7/h1-4H
InChIKeyLMXPZTFQLJOINZ-UHFFFAOYSA-N
XLogP3.51
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.11
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-[3-(3-chlorophenyl)-1,2,4-thiadiazol-5-yl]-2-methylbenzamide
CID 154799929
2-chloro-4,5-bis(3-chlorophenyl)-1,3-thiazole
CID 21408778
5-chloro-3-(4-chloro-2-fluorophenyl)-1,2,4-thiadiazole;5-chloro-3-pyridin-4-yl-1,2,4-thiadiazole
CID 158146883
2-[3-(3-chlorophenyl)phenyl]-4-phenyl-6-(3-phenylphenyl)pyrimidine
CID 169004297
4-chloro-2-(3-chlorophenyl)-6-(4-phenylphenyl)pyrimidine
CID 171832705
5-(3-chlorophenyl)-3-(4-chlorophenyl)-1,2,4-oxadiazole
CID 17370674
2-[3-(3-chlorophenyl)phenyl]-4,6-dipyridin-4-ylpyrimidine
CID 122606697
3-(3-chlorophenyl)-5-pyrrolidin-1-yl-1,2,4-oxadiazole
CID 133282203
3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine
CID 43152104
2-bromo-6-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]aniline
CID 63113341
(1S)-1-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]propan-1-amine;hydrochloride
CID 119947822
3-(3-chlorophenyl)-5-ethyl-1H-1,2,4-triazole
CID 46398001

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-(3-chlorophenyl)-1,2,4-thiadiazole?
The IUPAC name of 5-chloro-3-(3-chlorophenyl)-1,2,4-thiadiazole (CID 46318469) is 5-chloro-3-(3-chlorophenyl)-1,2,4-thiadiazole.
What is the SMILES notation for 5-chloro-3-(3-chlorophenyl)-1,2,4-thiadiazole?
The canonical SMILES for 5-chloro-3-(3-chlorophenyl)-1,2,4-thiadiazole is Clc1cccc(-c2nsc(Cl)n2)c1.
What is the InChIKey of 5-chloro-3-(3-chlorophenyl)-1,2,4-thiadiazole?
The InChIKey is LMXPZTFQLJOINZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4Cl2N2S/c9-6-3-1-2-5(4-6)7-11-8(10)13-12-7/h1-4H.
What are the key properties of 5-chloro-3-(3-chlorophenyl)-1,2,4-thiadiazole?
5-chloro-3-(3-chlorophenyl)-1,2,4-thiadiazole has a molecular weight of 231.11 g/mol, XLogP of 3.51, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-(3-chlorophenyl)-1,2,4-thiadiazole is sourced from PubChem (CID 46318469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).