4-(2,4-difluorophenyl)thiadiazole

C8H4F2N2S — CID 131703645

IUPAC4-(2,4-difluorophenyl)thiadiazole
SMILESFc1ccc(-c2csnn2)c(F)c1
InChIInChI=1S/C8H4F2N2S/c9-5-1-2-6(7(10)3-5)8-4-13-12-11-8/h1-4H
InChIKeyRKSDYYCQXOZJLP-UHFFFAOYSA-N
MW198.20 g/mol
LogP2.48
Rot. Bonds1

About 4-(2,4-difluorophenyl)thiadiazole

4-(2,4-difluorophenyl)thiadiazole (PubChem CID 131703645) has the molecular formula C8H4F2N2S and a molecular weight of 198.20 g/mol. Its IUPAC name is 4-(2,4-difluorophenyl)thiadiazole.

Molecular Properties

Compound Name4-(2,4-difluorophenyl)thiadiazole
PubChem CID131703645
Molecular FormulaC8H4F2N2S
Molecular Weight198.20 g/mol
Exact Mass198.01
IUPAC Name4-(2,4-difluorophenyl)thiadiazole
SMILESFc1ccc(-c2csnn2)c(F)c1
InChIInChI=1S/C8H4F2N2S/c9-5-1-2-6(7(10)3-5)8-4-13-12-11-8/h1-4H
InChIKeyRKSDYYCQXOZJLP-UHFFFAOYSA-N
XLogP2.48
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.20
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-Bromophenyl)-1,2,3-thiadiazole
CID 218520
4-Phenyl-1,2,3-thiadiazole
CID 270010
4-(4-Methylphenyl)-1,2,3-thiadiazole
CID 2739137
1,2,3-Thiadiazole, 4-(4-chlorophenyl)-
CID 205575
5-Methyl-4-phenyl-1,2,3-thiadiazole
CID 338037
4-[1,1'-Biphenyl]-4-yl-1,2,3-thiadiazole
CID 326577
4-(1,2,3-Thiadiazol-4-Yl)Benzylamine Hydrochloride
CID 2737287
4-(1,2,3-Thiadiazol-4-yl)aniline
CID 2739170
1-[4-(1,2,3-Thiadiazol-4-Yl)phenyl]methanamine
CID 2737288
5-(Isopropylsulfanyl)-4-phenyl-1,2,3-thiadiazole
CID 1473970
4-(4-Fluorophenyl)-1,2,3-thiadiazole
CID 592378
1,2,3-Thiadiazole, 4-(4-trifluoromethylphenyl)-
CID 608768

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-difluorophenyl)thiadiazole?
The IUPAC name of 4-(2,4-difluorophenyl)thiadiazole (CID 131703645) is 4-(2,4-difluorophenyl)thiadiazole.
What is the SMILES notation for 4-(2,4-difluorophenyl)thiadiazole?
The canonical SMILES for 4-(2,4-difluorophenyl)thiadiazole is Fc1ccc(-c2csnn2)c(F)c1.
What is the InChIKey of 4-(2,4-difluorophenyl)thiadiazole?
The InChIKey is RKSDYYCQXOZJLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4F2N2S/c9-5-1-2-6(7(10)3-5)8-4-13-12-11-8/h1-4H.
What are the key properties of 4-(2,4-difluorophenyl)thiadiazole?
4-(2,4-difluorophenyl)thiadiazole has a molecular weight of 198.20 g/mol, XLogP of 2.48, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-difluorophenyl)thiadiazole is sourced from PubChem (CID 131703645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).