N-(4-chlorophenyl)-2-(3-fluorophenyl)-[1,2,4]thiadiazolo[3,2-b][1,3,4]oxadiazol-6-imine

C15H8ClFN4OS — CID 10736389

IUPACN-(4-chlorophenyl)-2-(3-fluorophenyl)-[1,2,4]thiadiazolo[3,2-b][1,3,4]oxadiazol-6-imine
SMILESFc1cccc(-c2nn3s/c(=N\c4ccc(Cl)cc4)nc3o2)c1
InChIInChI=1S/C15H8ClFN4OS/c16-10-4-6-12(7-5-10)18-14-19-15-21(23-14)20-13(22-15)9-2-1-3-11(17)8-9/h1-8H/b18-14-
InChIKeyWGIQCPRIVJVIPQ-JXAWBTAJSA-N
MW346.77 g/mol
LogP4.08
Rot. Bonds2

About N-(4-chlorophenyl)-2-(3-fluorophenyl)-[1,2,4]thiadiazolo[3,2-b][1,3,4]oxadiazol-6-imine

N-(4-chlorophenyl)-2-(3-fluorophenyl)-[1,2,4]thiadiazolo[3,2-b][1,3,4]oxadiazol-6-imine (PubChem CID 10736389) has the molecular formula C15H8ClFN4OS and a molecular weight of 346.77 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-(3-fluorophenyl)-[1,2,4]thiadiazolo[3,2-b][1,3,4]oxadiazol-6-imine.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2-(3-fluorophenyl)-[1,2,4]thiadiazolo[3,2-b][1,3,4]oxadiazol-6-imine
PubChem CID10736389
Molecular FormulaC15H8ClFN4OS
Molecular Weight346.77 g/mol
Exact Mass346.01
IUPAC NameN-(4-chlorophenyl)-2-(3-fluorophenyl)-[1,2,4]thiadiazolo[3,2-b][1,3,4]oxadiazol-6-imine
SMILESFc1cccc(-c2nn3s/c(=N\c4ccc(Cl)cc4)nc3o2)c1
InChIInChI=1S/C15H8ClFN4OS/c16-10-4-6-12(7-5-10)18-14-19-15-21(23-14)20-13(22-15)9-2-1-3-11(17)8-9/h1-8H/b18-14-
InChIKeyWGIQCPRIVJVIPQ-JXAWBTAJSA-N
XLogP4.08
TPSA55.69 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.77
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_thio_N_5A(3)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2-(3-fluorophenyl)-[1,2,4]thiadiazolo[3,2-b][1,3,4]oxadiazol-6-imine?
The IUPAC name of N-(4-chlorophenyl)-2-(3-fluorophenyl)-[1,2,4]thiadiazolo[3,2-b][1,3,4]oxadiazol-6-imine (CID 10736389) is N-(4-chlorophenyl)-2-(3-fluorophenyl)-[1,2,4]thiadiazolo[3,2-b][1,3,4]oxadiazol-6-imine.
What is the SMILES notation for N-(4-chlorophenyl)-2-(3-fluorophenyl)-[1,2,4]thiadiazolo[3,2-b][1,3,4]oxadiazol-6-imine?
The canonical SMILES for N-(4-chlorophenyl)-2-(3-fluorophenyl)-[1,2,4]thiadiazolo[3,2-b][1,3,4]oxadiazol-6-imine is Fc1cccc(-c2nn3s/c(=N\c4ccc(Cl)cc4)nc3o2)c1.
What is the InChIKey of N-(4-chlorophenyl)-2-(3-fluorophenyl)-[1,2,4]thiadiazolo[3,2-b][1,3,4]oxadiazol-6-imine?
The InChIKey is WGIQCPRIVJVIPQ-JXAWBTAJSA-N. The full InChI is InChI=1S/C15H8ClFN4OS/c16-10-4-6-12(7-5-10)18-14-19-15-21(23-14)20-13(22-15)9-2-1-3-11(17)8-9/h1-8H/b18-14-.
What are the key properties of N-(4-chlorophenyl)-2-(3-fluorophenyl)-[1,2,4]thiadiazolo[3,2-b][1,3,4]oxadiazol-6-imine?
N-(4-chlorophenyl)-2-(3-fluorophenyl)-[1,2,4]thiadiazolo[3,2-b][1,3,4]oxadiazol-6-imine has a molecular weight of 346.77 g/mol, XLogP of 4.08, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-2-(3-fluorophenyl)-[1,2,4]thiadiazolo[3,2-b][1,3,4]oxadiazol-6-imine is sourced from PubChem (CID 10736389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).