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

C13H7FN4OS2 — CID 7109975

IUPACN-(4-fluoro-1,3-benzothiazol-2-yl)-5-thiophen-2-yl-1,3,4-oxadiazol-2-amine
SMILESFc1cccc2sc(Nc3nnc(-c4cccs4)o3)nc12
InChIInChI=1S/C13H7FN4OS2/c14-7-3-1-4-8-10(7)15-13(21-8)16-12-18-17-11(19-12)9-5-2-6-20-9/h1-6H,(H,15,16,18)
InChIKeyZQUHAWQFOYMUPS-UHFFFAOYSA-N
MW318.36 g/mol
LogP4.29
Rot. Bonds3

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

N-(4-fluoro-1,3-benzothiazol-2-yl)-5-thiophen-2-yl-1,3,4-oxadiazol-2-amine (PubChem CID 7109975) has the molecular formula C13H7FN4OS2 and a molecular weight of 318.36 g/mol. Its IUPAC name is N-(4-fluoro-1,3-benzothiazol-2-yl)-5-thiophen-2-yl-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound NameN-(4-fluoro-1,3-benzothiazol-2-yl)-5-thiophen-2-yl-1,3,4-oxadiazol-2-amine
PubChem CID7109975
Molecular FormulaC13H7FN4OS2
Molecular Weight318.36 g/mol
Exact Mass318.00
IUPAC NameN-(4-fluoro-1,3-benzothiazol-2-yl)-5-thiophen-2-yl-1,3,4-oxadiazol-2-amine
SMILESFc1cccc2sc(Nc3nnc(-c4cccs4)o3)nc12
InChIInChI=1S/C13H7FN4OS2/c14-7-3-1-4-8-10(7)15-13(21-8)16-12-18-17-11(19-12)9-5-2-6-20-9/h1-6H,(H,15,16,18)
InChIKeyZQUHAWQFOYMUPS-UHFFFAOYSA-N
XLogP4.29
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.36
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluoro-1,3-benzothiazol-2-yl)-5-thiophen-2-yl-1,3,4-oxadiazol-2-amine?
The IUPAC name of N-(4-fluoro-1,3-benzothiazol-2-yl)-5-thiophen-2-yl-1,3,4-oxadiazol-2-amine (CID 7109975) is N-(4-fluoro-1,3-benzothiazol-2-yl)-5-thiophen-2-yl-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for N-(4-fluoro-1,3-benzothiazol-2-yl)-5-thiophen-2-yl-1,3,4-oxadiazol-2-amine?
The canonical SMILES for N-(4-fluoro-1,3-benzothiazol-2-yl)-5-thiophen-2-yl-1,3,4-oxadiazol-2-amine is Fc1cccc2sc(Nc3nnc(-c4cccs4)o3)nc12.
What is the InChIKey of N-(4-fluoro-1,3-benzothiazol-2-yl)-5-thiophen-2-yl-1,3,4-oxadiazol-2-amine?
The InChIKey is ZQUHAWQFOYMUPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7FN4OS2/c14-7-3-1-4-8-10(7)15-13(21-8)16-12-18-17-11(19-12)9-5-2-6-20-9/h1-6H,(H,15,16,18).
What are the key properties of N-(4-fluoro-1,3-benzothiazol-2-yl)-5-thiophen-2-yl-1,3,4-oxadiazol-2-amine?
N-(4-fluoro-1,3-benzothiazol-2-yl)-5-thiophen-2-yl-1,3,4-oxadiazol-2-amine has a molecular weight of 318.36 g/mol, XLogP of 4.29, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluoro-1,3-benzothiazol-2-yl)-5-thiophen-2-yl-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 7109975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).