2-(4-fluorophenyl)-5-naphthalen-1-yl-1,3,4-thiadiazole

C18H11FN2S — CID 139674361

IUPAC2-(4-fluorophenyl)-5-naphthalen-1-yl-1,3,4-thiadiazole
SMILESFc1ccc(-c2nnc(-c3cccc4ccccc34)s2)cc1
InChIInChI=1S/C18H11FN2S/c19-14-10-8-13(9-11-14)17-20-21-18(22-17)16-7-3-5-12-4-1-2-6-15(12)16/h1-11H
InChIKeyDMKROQXLGFQQOF-UHFFFAOYSA-N
MW306.37 g/mol
LogP5.16
Rot. Bonds2

About 2-(4-fluorophenyl)-5-naphthalen-1-yl-1,3,4-thiadiazole

2-(4-fluorophenyl)-5-naphthalen-1-yl-1,3,4-thiadiazole (PubChem CID 139674361) has the molecular formula C18H11FN2S and a molecular weight of 306.37 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-5-naphthalen-1-yl-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-(4-fluorophenyl)-5-naphthalen-1-yl-1,3,4-thiadiazole
PubChem CID139674361
Molecular FormulaC18H11FN2S
Molecular Weight306.37 g/mol
Exact Mass306.06
IUPAC Name2-(4-fluorophenyl)-5-naphthalen-1-yl-1,3,4-thiadiazole
SMILESFc1ccc(-c2nnc(-c3cccc4ccccc34)s2)cc1
InChIInChI=1S/C18H11FN2S/c19-14-10-8-13(9-11-14)17-20-21-18(22-17)16-7-3-5-12-4-1-2-6-15(12)16/h1-11H
InChIKeyDMKROQXLGFQQOF-UHFFFAOYSA-N
XLogP5.16
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.37
LogP ≤ 55.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-Amino-5-(9-anthryl)-1,3,4-thiadiazole
CID 17603805
2-(2-Fluoro-4'-propyl-biphenyl-4-yl)-5-nonyl-[1,3,4]thiadiazole
CID 18997770
2-Butyl-5-(2,3-difluoro-4'-pentyl-biphenyl-4-yl)-[1,3,4]thiadiazole
CID 19763057
2-Phenyl-5-m-tolyl-1,3,4-thiadiazole
CID 139674346
2,5-Bis(4-fluorophenyl)-1,3,4-thiadiazole
CID 12130807
2-(1-Fluoroheptyl)-5-(7-octyl-9,10-dihydrophenanthren-2-yl)-1,3,4-thiadiazole
CID 19760657
2-(4-Fluorophenyl)-5-[2-(4-methylcyclohexyl)ethyl]-1,3,4-thiadiazole
CID 59545282
2-(4-Fluorophenyl)-5-[2-(4-methylphenyl)ethyl]-1,3,4-thiadiazole
CID 59545431
2-[3-(Trifluoromethyl)phenyl]-5-phenyl-1,3,4-thiadiazole
CID 71503593
2-Phenyl-5-(2,3,5,6-tetrafluoro-4-pyren-2-ylphenyl)-1,3,4-thiadiazole
CID 90362588
2-(4-Fluorophenyl)-5-(2-phenylethyl)-1,3,4-thiadiazole
CID 90984447
2-(2-Cyclohexylethyl)-5-(4-fluorophenyl)-1,3,4-thiadiazole
CID 91269169

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-5-naphthalen-1-yl-1,3,4-thiadiazole?
The IUPAC name of 2-(4-fluorophenyl)-5-naphthalen-1-yl-1,3,4-thiadiazole (CID 139674361) is 2-(4-fluorophenyl)-5-naphthalen-1-yl-1,3,4-thiadiazole.
What is the SMILES notation for 2-(4-fluorophenyl)-5-naphthalen-1-yl-1,3,4-thiadiazole?
The canonical SMILES for 2-(4-fluorophenyl)-5-naphthalen-1-yl-1,3,4-thiadiazole is Fc1ccc(-c2nnc(-c3cccc4ccccc34)s2)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-5-naphthalen-1-yl-1,3,4-thiadiazole?
The InChIKey is DMKROQXLGFQQOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11FN2S/c19-14-10-8-13(9-11-14)17-20-21-18(22-17)16-7-3-5-12-4-1-2-6-15(12)16/h1-11H.
What are the key properties of 2-(4-fluorophenyl)-5-naphthalen-1-yl-1,3,4-thiadiazole?
2-(4-fluorophenyl)-5-naphthalen-1-yl-1,3,4-thiadiazole has a molecular weight of 306.37 g/mol, XLogP of 5.16, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-5-naphthalen-1-yl-1,3,4-thiadiazole is sourced from PubChem (CID 139674361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).