2-(4-fluorophenyl)-5-heptyl-1,3,4-thiadiazole

C15H19FN2S — CID 59545387

IUPAC2-(4-fluorophenyl)-5-heptyl-1,3,4-thiadiazole
SMILESCCCCCCCc1nnc(-c2ccc(F)cc2)s1
InChIInChI=1S/C15H19FN2S/c1-2-3-4-5-6-7-14-17-18-15(19-14)12-8-10-13(16)11-9-12/h8-11H,2-7H2,1H3
InChIKeyUZWBGPGVGHAYBM-UHFFFAOYSA-N
MW278.40 g/mol
LogP4.86
Rot. Bonds7

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

2-(4-fluorophenyl)-5-heptyl-1,3,4-thiadiazole (PubChem CID 59545387) has the molecular formula C15H19FN2S and a molecular weight of 278.40 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-5-heptyl-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-(4-fluorophenyl)-5-heptyl-1,3,4-thiadiazole
PubChem CID59545387
Molecular FormulaC15H19FN2S
Molecular Weight278.40 g/mol
Exact Mass278.13
IUPAC Name2-(4-fluorophenyl)-5-heptyl-1,3,4-thiadiazole
SMILESCCCCCCCc1nnc(-c2ccc(F)cc2)s1
InChIInChI=1S/C15H19FN2S/c1-2-3-4-5-6-7-14-17-18-15(19-14)12-8-10-13(16)11-9-12/h8-11H,2-7H2,1H3
InChIKeyUZWBGPGVGHAYBM-UHFFFAOYSA-N
XLogP4.86
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1,3,4-Thiadiazole, 2,5-diphenyl-
CID 15080
5-(3-Fluorophenyl)-1,3,4-thiadiazol-2-amine
CID 848588
2-Amino-5-(4-fluorophenyl)-1,3,4-thiadiazole
CID 554208
5-(2-Fluorophenyl)-1,3,4-thiadiazol-2-amine
CID 554209
2-Methyl-5-phenyl-1,3,4-thiadiazole
CID 97425
1,3,4-Thiadiazole, 2-methoxy-5-phenyl-
CID 849918
2-Phenyl-1,3,4-thiadiazole
CID 199501
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-(Chloromethyl)-5-phenyl-1,3,4-thiadiazole
CID 12514511

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-5-heptyl-1,3,4-thiadiazole?
The IUPAC name of 2-(4-fluorophenyl)-5-heptyl-1,3,4-thiadiazole (CID 59545387) is 2-(4-fluorophenyl)-5-heptyl-1,3,4-thiadiazole.
What is the SMILES notation for 2-(4-fluorophenyl)-5-heptyl-1,3,4-thiadiazole?
The canonical SMILES for 2-(4-fluorophenyl)-5-heptyl-1,3,4-thiadiazole is CCCCCCCc1nnc(-c2ccc(F)cc2)s1.
What is the InChIKey of 2-(4-fluorophenyl)-5-heptyl-1,3,4-thiadiazole?
The InChIKey is UZWBGPGVGHAYBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2S/c1-2-3-4-5-6-7-14-17-18-15(19-14)12-8-10-13(16)11-9-12/h8-11H,2-7H2,1H3.
What are the key properties of 2-(4-fluorophenyl)-5-heptyl-1,3,4-thiadiazole?
2-(4-fluorophenyl)-5-heptyl-1,3,4-thiadiazole has a molecular weight of 278.40 g/mol, XLogP of 4.86, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-5-heptyl-1,3,4-thiadiazole is sourced from PubChem (CID 59545387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).