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

C15H8F2N4OS — CID 7109972

IUPACN-(4-fluoro-1,3-benzothiazol-2-yl)-5-(4-fluorophenyl)-1,3,4-oxadiazol-2-amine
SMILESFc1ccc(-c2nnc(Nc3nc4c(F)cccc4s3)o2)cc1
InChIInChI=1S/C15H8F2N4OS/c16-9-6-4-8(5-7-9)13-20-21-14(22-13)19-15-18-12-10(17)2-1-3-11(12)23-15/h1-7H,(H,18,19,21)
InChIKeyZYRLKJPOWSRFFP-UHFFFAOYSA-N
MW330.32 g/mol
LogP4.37
Rot. Bonds3

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

N-(4-fluoro-1,3-benzothiazol-2-yl)-5-(4-fluorophenyl)-1,3,4-oxadiazol-2-amine (PubChem CID 7109972) has the molecular formula C15H8F2N4OS and a molecular weight of 330.32 g/mol. Its IUPAC name is N-(4-fluoro-1,3-benzothiazol-2-yl)-5-(4-fluorophenyl)-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound NameN-(4-fluoro-1,3-benzothiazol-2-yl)-5-(4-fluorophenyl)-1,3,4-oxadiazol-2-amine
PubChem CID7109972
Molecular FormulaC15H8F2N4OS
Molecular Weight330.32 g/mol
Exact Mass330.04
IUPAC NameN-(4-fluoro-1,3-benzothiazol-2-yl)-5-(4-fluorophenyl)-1,3,4-oxadiazol-2-amine
SMILESFc1ccc(-c2nnc(Nc3nc4c(F)cccc4s3)o2)cc1
InChIInChI=1S/C15H8F2N4OS/c16-9-6-4-8(5-7-9)13-20-21-14(22-13)19-15-18-12-10(17)2-1-3-11(12)23-15/h1-7H,(H,18,19,21)
InChIKeyZYRLKJPOWSRFFP-UHFFFAOYSA-N
XLogP4.37
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.32
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluoro-1,3-benzothiazol-2-yl)-5-(4-fluorophenyl)-1,3,4-oxadiazol-2-amine?
The IUPAC name of N-(4-fluoro-1,3-benzothiazol-2-yl)-5-(4-fluorophenyl)-1,3,4-oxadiazol-2-amine (CID 7109972) is N-(4-fluoro-1,3-benzothiazol-2-yl)-5-(4-fluorophenyl)-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for N-(4-fluoro-1,3-benzothiazol-2-yl)-5-(4-fluorophenyl)-1,3,4-oxadiazol-2-amine?
The canonical SMILES for N-(4-fluoro-1,3-benzothiazol-2-yl)-5-(4-fluorophenyl)-1,3,4-oxadiazol-2-amine is Fc1ccc(-c2nnc(Nc3nc4c(F)cccc4s3)o2)cc1.
What is the InChIKey of N-(4-fluoro-1,3-benzothiazol-2-yl)-5-(4-fluorophenyl)-1,3,4-oxadiazol-2-amine?
The InChIKey is ZYRLKJPOWSRFFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8F2N4OS/c16-9-6-4-8(5-7-9)13-20-21-14(22-13)19-15-18-12-10(17)2-1-3-11(12)23-15/h1-7H,(H,18,19,21).
What are the key properties of N-(4-fluoro-1,3-benzothiazol-2-yl)-5-(4-fluorophenyl)-1,3,4-oxadiazol-2-amine?
N-(4-fluoro-1,3-benzothiazol-2-yl)-5-(4-fluorophenyl)-1,3,4-oxadiazol-2-amine has a molecular weight of 330.32 g/mol, XLogP of 4.37, 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-(4-fluorophenyl)-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 7109972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).