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

C7H3Cl2N3S — CID 86718160

IUPAC5-chloro-3-(2-chloro-4-pyridinyl)-1,2,4-thiadiazole
SMILESClc1cc(-c2nsc(Cl)n2)ccn1
InChIInChI=1S/C7H3Cl2N3S/c8-5-3-4(1-2-10-5)6-11-7(9)13-12-6/h1-3H
InChIKeyGIYWNHGGDJYATL-UHFFFAOYSA-N
MW232.10 g/mol
LogP2.91
Rot. Bonds1

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

5-chloro-3-(2-chloro-4-pyridinyl)-1,2,4-thiadiazole (PubChem CID 86718160) has the molecular formula C7H3Cl2N3S and a molecular weight of 232.10 g/mol. Its IUPAC name is 5-chloro-3-(2-chloro-4-pyridinyl)-1,2,4-thiadiazole.

Molecular Properties

Compound Name5-chloro-3-(2-chloro-4-pyridinyl)-1,2,4-thiadiazole
PubChem CID86718160
Molecular FormulaC7H3Cl2N3S
Molecular Weight232.10 g/mol
Exact Mass230.94
IUPAC Name5-chloro-3-(2-chloro-4-pyridinyl)-1,2,4-thiadiazole
SMILESClc1cc(-c2nsc(Cl)n2)ccn1
InChIInChI=1S/C7H3Cl2N3S/c8-5-3-4(1-2-10-5)6-11-7(9)13-12-6/h1-3H
InChIKeyGIYWNHGGDJYATL-UHFFFAOYSA-N
XLogP2.91
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.10
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

3-(Pyridin-3-yl)-1,2,4-thiadiazol-5-amine
CID 21486262
3-(Pyridin-4-yl)-1,2,4-thiadiazol-5-amine
CID 21928493
2-(5-Chloro-[1,2,4]thiadiazol-3-yl)pyridine
CID 46318465
5-Pyridin-3-yl-1,2,4-thiadiazole
CID 12600754
3-Methyl-5-pyridin-4-yl-1,2,4-thiadiazole
CID 12600756
3-Methyl-5-pyridin-3-yl-1,2,4-thiadiazole
CID 14763500
3-(3-Chloropyridin-4-yl)-1,2,4-thiadiazol-5-amine
CID 122163216
5-Chloro-3-[6-(trifluoromethyl)pyridin-3-yl]-1,2,4-thiadiazole
CID 71187240
5-Chloro-3-(5-fluoro-3-pyridinyl)-1,2,4-thiadiazole
CID 71290623
(4,6-Dichloropyrrolo[2,3-b]pyridin-1-yl) thiohypofluorite
CID 178984738
5-(2,6-Dichloro-5-fluoro-3-pyridinyl)-1,2,4-thiadiazole
CID 178992642
5-(6-Chloro-2-fluoro-3-pyridinyl)-1,2,4-thiadiazole
CID 178992683

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-(2-chloro-4-pyridinyl)-1,2,4-thiadiazole?
The IUPAC name of 5-chloro-3-(2-chloro-4-pyridinyl)-1,2,4-thiadiazole (CID 86718160) is 5-chloro-3-(2-chloro-4-pyridinyl)-1,2,4-thiadiazole.
What is the SMILES notation for 5-chloro-3-(2-chloro-4-pyridinyl)-1,2,4-thiadiazole?
The canonical SMILES for 5-chloro-3-(2-chloro-4-pyridinyl)-1,2,4-thiadiazole is Clc1cc(-c2nsc(Cl)n2)ccn1.
What is the InChIKey of 5-chloro-3-(2-chloro-4-pyridinyl)-1,2,4-thiadiazole?
The InChIKey is GIYWNHGGDJYATL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3Cl2N3S/c8-5-3-4(1-2-10-5)6-11-7(9)13-12-6/h1-3H.
What are the key properties of 5-chloro-3-(2-chloro-4-pyridinyl)-1,2,4-thiadiazole?
5-chloro-3-(2-chloro-4-pyridinyl)-1,2,4-thiadiazole has a molecular weight of 232.10 g/mol, XLogP of 2.91, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-(2-chloro-4-pyridinyl)-1,2,4-thiadiazole is sourced from PubChem (CID 86718160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).