N-(6-fluoro-1,3-benzothiazol-2-yl)-5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-amine

C16H11FN4O2S — CID 7110059

IUPACN-(6-fluoro-1,3-benzothiazol-2-yl)-5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-amine
SMILESCOc1ccccc1-c1nnc(Nc2nc3ccc(F)cc3s2)o1
InChIInChI=1S/C16H11FN4O2S/c1-22-12-5-3-2-4-10(12)14-20-21-15(23-14)19-16-18-11-7-6-9(17)8-13(11)24-16/h2-8H,1H3,(H,18,19,21)
InChIKeyNMTKKMKEJNGSOP-UHFFFAOYSA-N
MW342.36 g/mol
LogP4.24
Rot. Bonds4

About N-(6-fluoro-1,3-benzothiazol-2-yl)-5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-amine

N-(6-fluoro-1,3-benzothiazol-2-yl)-5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-amine (PubChem CID 7110059) has the molecular formula C16H11FN4O2S and a molecular weight of 342.36 g/mol. Its IUPAC name is N-(6-fluoro-1,3-benzothiazol-2-yl)-5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound NameN-(6-fluoro-1,3-benzothiazol-2-yl)-5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-amine
PubChem CID7110059
Molecular FormulaC16H11FN4O2S
Molecular Weight342.36 g/mol
Exact Mass342.06
IUPAC NameN-(6-fluoro-1,3-benzothiazol-2-yl)-5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-amine
SMILESCOc1ccccc1-c1nnc(Nc2nc3ccc(F)cc3s2)o1
InChIInChI=1S/C16H11FN4O2S/c1-22-12-5-3-2-4-10(12)14-20-21-15(23-14)19-16-18-11-7-6-9(17)8-13(11)24-16/h2-8H,1H3,(H,18,19,21)
InChIKeyNMTKKMKEJNGSOP-UHFFFAOYSA-N
XLogP4.24
TPSA73.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.36
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(6-fluoro-1,3-benzothiazol-2-yl)-5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-amine?
The IUPAC name of N-(6-fluoro-1,3-benzothiazol-2-yl)-5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-amine (CID 7110059) is N-(6-fluoro-1,3-benzothiazol-2-yl)-5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for N-(6-fluoro-1,3-benzothiazol-2-yl)-5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-amine?
The canonical SMILES for N-(6-fluoro-1,3-benzothiazol-2-yl)-5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-amine is COc1ccccc1-c1nnc(Nc2nc3ccc(F)cc3s2)o1.
What is the InChIKey of N-(6-fluoro-1,3-benzothiazol-2-yl)-5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-amine?
The InChIKey is NMTKKMKEJNGSOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11FN4O2S/c1-22-12-5-3-2-4-10(12)14-20-21-15(23-14)19-16-18-11-7-6-9(17)8-13(11)24-16/h2-8H,1H3,(H,18,19,21).
What are the key properties of N-(6-fluoro-1,3-benzothiazol-2-yl)-5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-amine?
N-(6-fluoro-1,3-benzothiazol-2-yl)-5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-amine has a molecular weight of 342.36 g/mol, XLogP of 4.24, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-fluoro-1,3-benzothiazol-2-yl)-5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 7110059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).