N-(4-fluoro-1,3-benzothiazol-2-yl)-5-phenyl-1,3,4-oxadiazol-2-amine

C15H9FN4OS — CID 3243386

IUPACN-(4-fluoro-1,3-benzothiazol-2-yl)-5-phenyl-1,3,4-oxadiazol-2-amine
SMILESFc1cccc2sc(Nc3nnc(-c4ccccc4)o3)nc12
InChIInChI=1S/C15H9FN4OS/c16-10-7-4-8-11-12(10)17-15(22-11)18-14-20-19-13(21-14)9-5-2-1-3-6-9/h1-8H,(H,17,18,20)
InChIKeyMAIVGXFDCUKMFV-UHFFFAOYSA-N
MW312.33 g/mol
LogP4.23
Rot. Bonds3

About N-(4-fluoro-1,3-benzothiazol-2-yl)-5-phenyl-1,3,4-oxadiazol-2-amine

N-(4-fluoro-1,3-benzothiazol-2-yl)-5-phenyl-1,3,4-oxadiazol-2-amine (PubChem CID 3243386) has the molecular formula C15H9FN4OS and a molecular weight of 312.33 g/mol. Its IUPAC name is N-(4-fluoro-1,3-benzothiazol-2-yl)-5-phenyl-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound NameN-(4-fluoro-1,3-benzothiazol-2-yl)-5-phenyl-1,3,4-oxadiazol-2-amine
PubChem CID3243386
Molecular FormulaC15H9FN4OS
Molecular Weight312.33 g/mol
Exact Mass312.05
IUPAC NameN-(4-fluoro-1,3-benzothiazol-2-yl)-5-phenyl-1,3,4-oxadiazol-2-amine
SMILESFc1cccc2sc(Nc3nnc(-c4ccccc4)o3)nc12
InChIInChI=1S/C15H9FN4OS/c16-10-7-4-8-11-12(10)17-15(22-11)18-14-20-19-13(21-14)9-5-2-1-3-6-9/h1-8H,(H,17,18,20)
InChIKeyMAIVGXFDCUKMFV-UHFFFAOYSA-N
XLogP4.23
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.33
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-fluoro-1,3-benzothiazol-2-yl)-5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-amine
CID 3242011
5-(4-fluorophenyl)-N-(4-methoxy-1,3-benzothiazol-2-yl)-1,3,4-oxadiazol-2-amine
CID 7109931
N-(4-fluoro-1,3-benzothiazol-2-yl)-5-(4-fluorophenyl)-1,3,4-oxadiazol-2-amine
CID 7109972
5-(3,5-dimethoxyphenyl)-N-(4-fluorobenzo[d]thiazol-2-yl)-1,3,4-oxadiazol-2-amine
CID 3240046
N-(5-phenyl-1,3,4-oxadiazol-2-yl)-1,3-benzothiazole-2-carboxamide
CID 4121843
N-(4-fluoro-1,3-benzothiazol-2-yl)-5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-amine
CID 7158830
5-(2-chlorophenyl)-N-(4-fluorobenzo[d]thiazol-2-yl)-1,3,4-oxadiazol-2-amine
CID 7109971
N-(6-fluorobenzo[d]thiazol-2-yl)-5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-amine
CID 7110059
N-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-1,3-benzothiazole-6-carboxamide
CID 3466460
N-(6-fluorobenzo[d]thiazol-2-yl)-5-(thiophen-2-yl)-1,3,4-oxadiazol-2-amine
CID 7110064
N-(5-(2-(methylthio)phenyl)-1,3,4-oxadiazol-2-yl)benzo[d]thiazole-2-carboxamide
CID 7577896
methyl 4-((1-(6-fluorobenzo[d]thiazol-2-yl)-3-methyl-1H-pyrazol-5-yl)carbamoyl)benzoate
CID 29696014

Frequently Asked Questions

What is the IUPAC name of N-(4-fluoro-1,3-benzothiazol-2-yl)-5-phenyl-1,3,4-oxadiazol-2-amine?
The IUPAC name of N-(4-fluoro-1,3-benzothiazol-2-yl)-5-phenyl-1,3,4-oxadiazol-2-amine (CID 3243386) is N-(4-fluoro-1,3-benzothiazol-2-yl)-5-phenyl-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for N-(4-fluoro-1,3-benzothiazol-2-yl)-5-phenyl-1,3,4-oxadiazol-2-amine?
The canonical SMILES for N-(4-fluoro-1,3-benzothiazol-2-yl)-5-phenyl-1,3,4-oxadiazol-2-amine is Fc1cccc2sc(Nc3nnc(-c4ccccc4)o3)nc12.
What is the InChIKey of N-(4-fluoro-1,3-benzothiazol-2-yl)-5-phenyl-1,3,4-oxadiazol-2-amine?
The InChIKey is MAIVGXFDCUKMFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9FN4OS/c16-10-7-4-8-11-12(10)17-15(22-11)18-14-20-19-13(21-14)9-5-2-1-3-6-9/h1-8H,(H,17,18,20).
What are the key properties of N-(4-fluoro-1,3-benzothiazol-2-yl)-5-phenyl-1,3,4-oxadiazol-2-amine?
N-(4-fluoro-1,3-benzothiazol-2-yl)-5-phenyl-1,3,4-oxadiazol-2-amine has a molecular weight of 312.33 g/mol, XLogP of 4.23, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluoro-1,3-benzothiazol-2-yl)-5-phenyl-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 3243386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).