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

C7H3ClFN3S — CID 71290623

IUPAC5-chloro-3-(5-fluoro-3-pyridinyl)-1,2,4-thiadiazole
SMILESFc1cncc(-c2nsc(Cl)n2)c1
InChIInChI=1S/C7H3ClFN3S/c8-7-11-6(12-13-7)4-1-5(9)3-10-2-4/h1-3H
InChIKeyKMUHMZRJSMMJAO-UHFFFAOYSA-N
MW215.64 g/mol
LogP2.39
Rot. Bonds1

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

5-chloro-3-(5-fluoro-3-pyridinyl)-1,2,4-thiadiazole (PubChem CID 71290623) has the molecular formula C7H3ClFN3S and a molecular weight of 215.64 g/mol. Its IUPAC name is 5-chloro-3-(5-fluoro-3-pyridinyl)-1,2,4-thiadiazole.

Molecular Properties

Compound Name5-chloro-3-(5-fluoro-3-pyridinyl)-1,2,4-thiadiazole
PubChem CID71290623
Molecular FormulaC7H3ClFN3S
Molecular Weight215.64 g/mol
Exact Mass214.97
IUPAC Name5-chloro-3-(5-fluoro-3-pyridinyl)-1,2,4-thiadiazole
SMILESFc1cncc(-c2nsc(Cl)n2)c1
InChIInChI=1S/C7H3ClFN3S/c8-7-11-6(12-13-7)4-1-5(9)3-10-2-4/h1-3H
InChIKeyKMUHMZRJSMMJAO-UHFFFAOYSA-N
XLogP2.39
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.64
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3,5-Dipyridin-3-yl-1,2,4-thiadiazole
CID 10538018
3-(Pyridin-3-yl)-1,2,4-thiadiazol-5-amine
CID 21486262
3-(Pyridin-4-yl)-1,2,4-thiadiazol-5-amine
CID 21928493
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
5-(1-Ethylpyridin-1-ium-3-yl)-3-methyl-1,2,4-thiadiazole iodide
CID 76312619
3-Methyl-5-(1-prop-2-enylpyridin-1-ium-3-yl)-1,2,4-thiadiazole bromide
CID 76312621
5-(1-Butylpyridin-1-ium-3-yl)-3-methyl-1,2,4-thiadiazole iodide
CID 76316122
3-Methyl-5-(1-methylpyridin-1-ium-3-yl)-1,2,4-thiadiazole iodide
CID 76330726
N-[(5-fluoro-3-pyridinyl)methyl]-3-propan-2-yl-1,2,4-thiadiazol-5-amine
CID 132397066
5-Chloro-3-[6-(trifluoromethyl)pyridin-3-yl]-1,2,4-thiadiazole
CID 71187240

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-(5-fluoro-3-pyridinyl)-1,2,4-thiadiazole?
The IUPAC name of 5-chloro-3-(5-fluoro-3-pyridinyl)-1,2,4-thiadiazole (CID 71290623) is 5-chloro-3-(5-fluoro-3-pyridinyl)-1,2,4-thiadiazole.
What is the SMILES notation for 5-chloro-3-(5-fluoro-3-pyridinyl)-1,2,4-thiadiazole?
The canonical SMILES for 5-chloro-3-(5-fluoro-3-pyridinyl)-1,2,4-thiadiazole is Fc1cncc(-c2nsc(Cl)n2)c1.
What is the InChIKey of 5-chloro-3-(5-fluoro-3-pyridinyl)-1,2,4-thiadiazole?
The InChIKey is KMUHMZRJSMMJAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3ClFN3S/c8-7-11-6(12-13-7)4-1-5(9)3-10-2-4/h1-3H.
What are the key properties of 5-chloro-3-(5-fluoro-3-pyridinyl)-1,2,4-thiadiazole?
5-chloro-3-(5-fluoro-3-pyridinyl)-1,2,4-thiadiazole has a molecular weight of 215.64 g/mol, XLogP of 2.39, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-(5-fluoro-3-pyridinyl)-1,2,4-thiadiazole is sourced from PubChem (CID 71290623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).