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

C15H7Cl3FN5S2 — CID 158146883

IUPAC5-chloro-3-(4-chloro-2-fluorophenyl)-1,2,4-thiadiazole;5-chloro-3-pyridin-4-yl-1,2,4-thiadiazole
SMILESClc1nc(-c2ccncc2)ns1.Fc1cc(Cl)ccc1-c1nsc(Cl)n1
InChIInChI=1S/C8H3Cl2FN2S.C7H4ClN3S/c9-4-1-2-5(6(11)3-4)7-12-8(10)14-13-7;8-7-10-6(11-12-7)5-1-3-9-4-2-5/h1-3H;1-4H
InChIKeyFUPZSBQJWOETCT-UHFFFAOYSA-N
MW446.75 g/mol
LogP5.90
Rot. Bonds2

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

5-chloro-3-(4-chloro-2-fluorophenyl)-1,2,4-thiadiazole;5-chloro-3-pyridin-4-yl-1,2,4-thiadiazole (PubChem CID 158146883) has the molecular formula C15H7Cl3FN5S2 and a molecular weight of 446.75 g/mol. Its IUPAC name is 5-chloro-3-(4-chloro-2-fluorophenyl)-1,2,4-thiadiazole;5-chloro-3-pyridin-4-yl-1,2,4-thiadiazole.

Molecular Properties

Compound Name5-chloro-3-(4-chloro-2-fluorophenyl)-1,2,4-thiadiazole;5-chloro-3-pyridin-4-yl-1,2,4-thiadiazole
PubChem CID158146883
Molecular FormulaC15H7Cl3FN5S2
Molecular Weight446.75 g/mol
Exact Mass444.92
IUPAC Name5-chloro-3-(4-chloro-2-fluorophenyl)-1,2,4-thiadiazole;5-chloro-3-pyridin-4-yl-1,2,4-thiadiazole
SMILESClc1nc(-c2ccncc2)ns1.Fc1cc(Cl)ccc1-c1nsc(Cl)n1
InChIInChI=1S/C8H3Cl2FN2S.C7H4ClN3S/c9-4-1-2-5(6(11)3-4)7-12-8(10)14-13-7;8-7-10-6(11-12-7)5-1-3-9-4-2-5/h1-3H;1-4H
InChIKeyFUPZSBQJWOETCT-UHFFFAOYSA-N
XLogP5.90
TPSA64.45 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.75
LogP ≤ 55.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

5-chloro-3-(5-chloro-3-pyridinyl)-1,2,4-thiadiazole;5-chloro-3-pyridin-4-yl-1,2,4-thiadiazole
CID 162004669
5-chloro-3-(3-chlorophenyl)-1,2,4-thiadiazole
CID 46318469
3-(2-bromo-4-fluorophenyl)-5-chloro-1,2,4-thiadiazole
CID 107282995
5-(2,4-dichlorophenyl)-3-pyridin-4-yl-1,2,4-oxadiazole
CID 702922
4-(2,5-difluoro-4-pyridin-4-ylphenyl)pyridine
CID 102193894
5-(4-chloro-2-fluorophenyl)-3-phenyl-1H-1,2,4-triazole
CID 61354585
2,6-difluoro-3-pyridin-4-ylaniline
CID 165453925
3-fluoro-4-pyridin-4-ylphenol
CID 135740652
4-(2,4-difluorophenyl)pyridine
CID 45036856
2-(5-amino-1,2,4-thiadiazol-3-yl)-5-chlorophenol
CID 137224780
7-chloro-2-pyridin-4-ylquinazoline
CID 90943217
2-(4-chloro-2-fluorophenyl)-4-methyl-3-pyridin-4-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine;hydron;chloride
CID 170327810

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-(4-chloro-2-fluorophenyl)-1,2,4-thiadiazole;5-chloro-3-pyridin-4-yl-1,2,4-thiadiazole?
The IUPAC name of 5-chloro-3-(4-chloro-2-fluorophenyl)-1,2,4-thiadiazole;5-chloro-3-pyridin-4-yl-1,2,4-thiadiazole (CID 158146883) is 5-chloro-3-(4-chloro-2-fluorophenyl)-1,2,4-thiadiazole;5-chloro-3-pyridin-4-yl-1,2,4-thiadiazole.
What is the SMILES notation for 5-chloro-3-(4-chloro-2-fluorophenyl)-1,2,4-thiadiazole;5-chloro-3-pyridin-4-yl-1,2,4-thiadiazole?
The canonical SMILES for 5-chloro-3-(4-chloro-2-fluorophenyl)-1,2,4-thiadiazole;5-chloro-3-pyridin-4-yl-1,2,4-thiadiazole is Clc1nc(-c2ccncc2)ns1.Fc1cc(Cl)ccc1-c1nsc(Cl)n1.
What is the InChIKey of 5-chloro-3-(4-chloro-2-fluorophenyl)-1,2,4-thiadiazole;5-chloro-3-pyridin-4-yl-1,2,4-thiadiazole?
The InChIKey is FUPZSBQJWOETCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3Cl2FN2S.C7H4ClN3S/c9-4-1-2-5(6(11)3-4)7-12-8(10)14-13-7;8-7-10-6(11-12-7)5-1-3-9-4-2-5/h1-3H;1-4H.
What are the key properties of 5-chloro-3-(4-chloro-2-fluorophenyl)-1,2,4-thiadiazole;5-chloro-3-pyridin-4-yl-1,2,4-thiadiazole?
5-chloro-3-(4-chloro-2-fluorophenyl)-1,2,4-thiadiazole;5-chloro-3-pyridin-4-yl-1,2,4-thiadiazole has a molecular weight of 446.75 g/mol, XLogP of 5.90, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-(4-chloro-2-fluorophenyl)-1,2,4-thiadiazole;5-chloro-3-pyridin-4-yl-1,2,4-thiadiazole is sourced from PubChem (CID 158146883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).