2-(3-fluoro-4-methylphenyl)-5-(3-fluorophenyl)-1,3,4-thiadiazole

C15H10F2N2S — CID 158199736

IUPAC2-(3-fluoro-4-methylphenyl)-5-(3-fluorophenyl)-1,3,4-thiadiazole
SMILESCc1ccc(-c2nnc(-c3cccc(F)c3)s2)cc1F
InChIInChI=1S/C15H10F2N2S/c1-9-5-6-11(8-13(9)17)15-19-18-14(20-15)10-3-2-4-12(16)7-10/h2-8H,1H3
InChIKeyGATZIAIQSHFAHU-UHFFFAOYSA-N
MW288.32 g/mol
LogP4.46
Rot. Bonds2

About 2-(3-fluoro-4-methylphenyl)-5-(3-fluorophenyl)-1,3,4-thiadiazole

2-(3-fluoro-4-methylphenyl)-5-(3-fluorophenyl)-1,3,4-thiadiazole (PubChem CID 158199736) has the molecular formula C15H10F2N2S and a molecular weight of 288.32 g/mol. Its IUPAC name is 2-(3-fluoro-4-methylphenyl)-5-(3-fluorophenyl)-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-(3-fluoro-4-methylphenyl)-5-(3-fluorophenyl)-1,3,4-thiadiazole
PubChem CID158199736
Molecular FormulaC15H10F2N2S
Molecular Weight288.32 g/mol
Exact Mass288.05
IUPAC Name2-(3-fluoro-4-methylphenyl)-5-(3-fluorophenyl)-1,3,4-thiadiazole
SMILESCc1ccc(-c2nnc(-c3cccc(F)c3)s2)cc1F
InChIInChI=1S/C15H10F2N2S/c1-9-5-6-11(8-13(9)17)15-19-18-14(20-15)10-3-2-4-12(16)7-10/h2-8H,1H3
InChIKeyGATZIAIQSHFAHU-UHFFFAOYSA-N
XLogP4.46
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.32
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-fluoro-4-[3-[[5-(3-fluorophenyl)-2-methylphenyl]methyl]-4-methylphenyl]-1-methylbenzene
CID 174288764
2-chloro-5-(3-fluorophenyl)-1,3,4-thiadiazole
CID 13318779
2-(3-fluorophenyl)-4,5-dimethyl-1,3-benzothiazole
CID 175289709
2-(3-fluorophenyl)-5-methyl-1,3-thiazol-4-amine
CID 83107881
2-(3-fluorophenyl)-4-methyl-1,3-thiazol-5-ol
CID 116886109
1-[2-(3-fluoro-4-methylphenyl)-1,3-thiazol-5-yl]ethanol
CID 62653769
N-[5-(3-fluorophenyl)-1,3,4-thiadiazol-2-yl]-N,2-dimethylpropanamide
CID 1444827
2-(3-fluorophenyl)-1,3,4-thiadiazole
CID 130052469
2-fluoro-1-methyl-4-[4-(4-methylphenyl)phenyl]benzene
CID 22899602
1-(4-chlorophenyl)-3-[5-(3-fluorophenyl)-1,3,4-thiadiazol-2-yl]urea
CID 744032
2-fluoro-1,4-bis(3-fluorophenyl)benzene
CID 58392571
2,4-difluoro-1-methylbenzene;hydrobromide
CID 174767043

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoro-4-methylphenyl)-5-(3-fluorophenyl)-1,3,4-thiadiazole?
The IUPAC name of 2-(3-fluoro-4-methylphenyl)-5-(3-fluorophenyl)-1,3,4-thiadiazole (CID 158199736) is 2-(3-fluoro-4-methylphenyl)-5-(3-fluorophenyl)-1,3,4-thiadiazole.
What is the SMILES notation for 2-(3-fluoro-4-methylphenyl)-5-(3-fluorophenyl)-1,3,4-thiadiazole?
The canonical SMILES for 2-(3-fluoro-4-methylphenyl)-5-(3-fluorophenyl)-1,3,4-thiadiazole is Cc1ccc(-c2nnc(-c3cccc(F)c3)s2)cc1F.
What is the InChIKey of 2-(3-fluoro-4-methylphenyl)-5-(3-fluorophenyl)-1,3,4-thiadiazole?
The InChIKey is GATZIAIQSHFAHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F2N2S/c1-9-5-6-11(8-13(9)17)15-19-18-14(20-15)10-3-2-4-12(16)7-10/h2-8H,1H3.
What are the key properties of 2-(3-fluoro-4-methylphenyl)-5-(3-fluorophenyl)-1,3,4-thiadiazole?
2-(3-fluoro-4-methylphenyl)-5-(3-fluorophenyl)-1,3,4-thiadiazole has a molecular weight of 288.32 g/mol, XLogP of 4.46, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoro-4-methylphenyl)-5-(3-fluorophenyl)-1,3,4-thiadiazole is sourced from PubChem (CID 158199736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).