3-chloro-5-(2,4-difluoro-5-methylphenyl)-1,2,4-thiadiazole

C9H5ClF2N2S — CID 102943957

IUPAC3-chloro-5-(2,4-difluoro-5-methylphenyl)-1,2,4-thiadiazole
SMILESCc1cc(-c2nc(Cl)ns2)c(F)cc1F
InChIInChI=1S/C9H5ClF2N2S/c1-4-2-5(7(12)3-6(4)11)8-13-9(10)14-15-8/h2-3H,1H3
InChIKeyYZOSMWUBWOTMCB-UHFFFAOYSA-N
MW246.67 g/mol
LogP3.45
Rot. Bonds1

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

3-chloro-5-(2,4-difluoro-5-methylphenyl)-1,2,4-thiadiazole (PubChem CID 102943957) has the molecular formula C9H5ClF2N2S and a molecular weight of 246.67 g/mol. Its IUPAC name is 3-chloro-5-(2,4-difluoro-5-methylphenyl)-1,2,4-thiadiazole.

Molecular Properties

Compound Name3-chloro-5-(2,4-difluoro-5-methylphenyl)-1,2,4-thiadiazole
PubChem CID102943957
Molecular FormulaC9H5ClF2N2S
Molecular Weight246.67 g/mol
Exact Mass245.98
IUPAC Name3-chloro-5-(2,4-difluoro-5-methylphenyl)-1,2,4-thiadiazole
SMILESCc1cc(-c2nc(Cl)ns2)c(F)cc1F
InChIInChI=1S/C9H5ClF2N2S/c1-4-2-5(7(12)3-6(4)11)8-13-9(10)14-15-8/h2-3H,1H3
InChIKeyYZOSMWUBWOTMCB-UHFFFAOYSA-N
XLogP3.45
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.67
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-(4-bromo-2-fluorophenyl)-3-chloro-1,2,4-thiadiazole
CID 102944127
3-chloro-5-(2,4-dimethylphenyl)-1,2,4-thiadiazole
CID 102944087
3-chloro-5-(3,4,5-trifluorophenyl)-1,2,4-thiadiazole
CID 102943984
3-chloro-5-(3,4-difluorophenyl)-1,2,4-thiadiazole
CID 102944122
3-chloro-5-(2-chlorofuran-3-yl)-1,2,4-thiadiazole
CID 106694860
1-chloro-2,4-difluoro-5-methylbenzene
CID 58691509
3-chloro-5-(5-methylpyrazin-2-yl)-1,2,4-thiadiazole
CID 102944047
methyl 5-amino-2-(2,4-difluoro-5-methylphenyl)-1,3-thiazole-4-carboxylate
CID 103199677
4-(2-chloro-4-fluoro-5-methylphenyl)-1,3-thiazol-2-amine
CID 80717940
2,4-dichloro-6-fluoro-7-methylquinazoline
CID 167510683
2-chloro-5-fluoro-4-methylbenzenethiol
CID 91874485
4-(2-chloro-5-fluoro-4-methylphenyl)-2-methyl-1,3-thiazole
CID 116967902

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-(2,4-difluoro-5-methylphenyl)-1,2,4-thiadiazole?
The IUPAC name of 3-chloro-5-(2,4-difluoro-5-methylphenyl)-1,2,4-thiadiazole (CID 102943957) is 3-chloro-5-(2,4-difluoro-5-methylphenyl)-1,2,4-thiadiazole.
What is the SMILES notation for 3-chloro-5-(2,4-difluoro-5-methylphenyl)-1,2,4-thiadiazole?
The canonical SMILES for 3-chloro-5-(2,4-difluoro-5-methylphenyl)-1,2,4-thiadiazole is Cc1cc(-c2nc(Cl)ns2)c(F)cc1F.
What is the InChIKey of 3-chloro-5-(2,4-difluoro-5-methylphenyl)-1,2,4-thiadiazole?
The InChIKey is YZOSMWUBWOTMCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5ClF2N2S/c1-4-2-5(7(12)3-6(4)11)8-13-9(10)14-15-8/h2-3H,1H3.
What are the key properties of 3-chloro-5-(2,4-difluoro-5-methylphenyl)-1,2,4-thiadiazole?
3-chloro-5-(2,4-difluoro-5-methylphenyl)-1,2,4-thiadiazole has a molecular weight of 246.67 g/mol, XLogP of 3.45, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-(2,4-difluoro-5-methylphenyl)-1,2,4-thiadiazole is sourced from PubChem (CID 102943957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).