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

C16H13FN2S — CID 159497608

IUPAC2-(3-fluoro-4-methylphenyl)-5-(4-methylphenyl)-1,3,4-thiadiazole
SMILESCc1ccc(-c2nnc(-c3ccc(C)c(F)c3)s2)cc1
InChIInChI=1S/C16H13FN2S/c1-10-3-6-12(7-4-10)15-18-19-16(20-15)13-8-5-11(2)14(17)9-13/h3-9H,1-2H3
InChIKeyLYZDYEMTNIVDHK-UHFFFAOYSA-N
MW284.36 g/mol
LogP4.63
Rot. Bonds2

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

2-(3-fluoro-4-methylphenyl)-5-(4-methylphenyl)-1,3,4-thiadiazole (PubChem CID 159497608) has the molecular formula C16H13FN2S and a molecular weight of 284.36 g/mol. Its IUPAC name is 2-(3-fluoro-4-methylphenyl)-5-(4-methylphenyl)-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-(3-fluoro-4-methylphenyl)-5-(4-methylphenyl)-1,3,4-thiadiazole
PubChem CID159497608
Molecular FormulaC16H13FN2S
Molecular Weight284.36 g/mol
Exact Mass284.08
IUPAC Name2-(3-fluoro-4-methylphenyl)-5-(4-methylphenyl)-1,3,4-thiadiazole
SMILESCc1ccc(-c2nnc(-c3ccc(C)c(F)c3)s2)cc1
InChIInChI=1S/C16H13FN2S/c1-10-3-6-12(7-4-10)15-18-19-16(20-15)13-8-5-11(2)14(17)9-13/h3-9H,1-2H3
InChIKeyLYZDYEMTNIVDHK-UHFFFAOYSA-N
XLogP4.63
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1,3,4-Thiadiazole, 2,5-diphenyl-
CID 15080
2-Methyl-5-phenyl-1,3,4-thiadiazole
CID 97425
1,3,4-Thiadiazole, 2-methoxy-5-phenyl-
CID 849918
2-Chloro-5-phenyl-1,3,4-thiadiazole
CID 253145
2-Bromo-5-phenyl-1,3,4-thiadiazole
CID 13104117
2-Benzylsulfanyl-5-phenyl-1,3,4-thiadiazole
CID 22482115
2-(Methylthio)-5-(P-tolyl)-1,3,4-thiadiazole
CID 3555790
2-Iodo-5-phenyl-1,3,4-thiadiazole
CID 63384141
4-[5-(4-Carbamimidoylphenyl)-1,3,4-thiadiazol-2-yl]benzenecarboximidamide;dihydrochloride
CID 12637656
2-Chloro-5-(2-fluorophenyl)-1,3,4-thiadiazole
CID 13318778
2-(2-Fluorophenyl)-5-methylsulfanyl-1,3,4-thiadiazole
CID 139221813
2-Phenyl-5-(phenylsulfanyl)-1,3,4-thiadiazole
CID 822049

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoro-4-methylphenyl)-5-(4-methylphenyl)-1,3,4-thiadiazole?
The IUPAC name of 2-(3-fluoro-4-methylphenyl)-5-(4-methylphenyl)-1,3,4-thiadiazole (CID 159497608) is 2-(3-fluoro-4-methylphenyl)-5-(4-methylphenyl)-1,3,4-thiadiazole.
What is the SMILES notation for 2-(3-fluoro-4-methylphenyl)-5-(4-methylphenyl)-1,3,4-thiadiazole?
The canonical SMILES for 2-(3-fluoro-4-methylphenyl)-5-(4-methylphenyl)-1,3,4-thiadiazole is Cc1ccc(-c2nnc(-c3ccc(C)c(F)c3)s2)cc1.
What is the InChIKey of 2-(3-fluoro-4-methylphenyl)-5-(4-methylphenyl)-1,3,4-thiadiazole?
The InChIKey is LYZDYEMTNIVDHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN2S/c1-10-3-6-12(7-4-10)15-18-19-16(20-15)13-8-5-11(2)14(17)9-13/h3-9H,1-2H3.
What are the key properties of 2-(3-fluoro-4-methylphenyl)-5-(4-methylphenyl)-1,3,4-thiadiazole?
2-(3-fluoro-4-methylphenyl)-5-(4-methylphenyl)-1,3,4-thiadiazole has a molecular weight of 284.36 g/mol, XLogP of 4.63, 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-(4-methylphenyl)-1,3,4-thiadiazole is sourced from PubChem (CID 159497608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).