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

C16H11FN4O2S — CID 7109931

IUPAC5-(4-fluorophenyl)-N-(4-methoxy-1,3-benzothiazol-2-yl)-1,3,4-oxadiazol-2-amine
SMILESCOc1cccc2sc(Nc3nnc(-c4ccc(F)cc4)o3)nc12
InChIInChI=1S/C16H11FN4O2S/c1-22-11-3-2-4-12-13(11)18-16(24-12)19-15-21-20-14(23-15)9-5-7-10(17)8-6-9/h2-8H,1H3,(H,18,19,21)
InChIKeyTUNSTYGNRZSNSX-UHFFFAOYSA-N
MW342.36 g/mol
LogP4.24
Rot. Bonds4

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

5-(4-fluorophenyl)-N-(4-methoxy-1,3-benzothiazol-2-yl)-1,3,4-oxadiazol-2-amine (PubChem CID 7109931) has the molecular formula C16H11FN4O2S and a molecular weight of 342.36 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-N-(4-methoxy-1,3-benzothiazol-2-yl)-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-(4-fluorophenyl)-N-(4-methoxy-1,3-benzothiazol-2-yl)-1,3,4-oxadiazol-2-amine
PubChem CID7109931
Molecular FormulaC16H11FN4O2S
Molecular Weight342.36 g/mol
Exact Mass342.06
IUPAC Name5-(4-fluorophenyl)-N-(4-methoxy-1,3-benzothiazol-2-yl)-1,3,4-oxadiazol-2-amine
SMILESCOc1cccc2sc(Nc3nnc(-c4ccc(F)cc4)o3)nc12
InChIInChI=1S/C16H11FN4O2S/c1-22-11-3-2-4-12-13(11)18-16(24-12)19-15-21-20-14(23-15)9-5-7-10(17)8-6-9/h2-8H,1H3,(H,18,19,21)
InChIKeyTUNSTYGNRZSNSX-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 5-(4-fluorophenyl)-N-(4-methoxy-1,3-benzothiazol-2-yl)-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-(4-fluorophenyl)-N-(4-methoxy-1,3-benzothiazol-2-yl)-1,3,4-oxadiazol-2-amine (CID 7109931) is 5-(4-fluorophenyl)-N-(4-methoxy-1,3-benzothiazol-2-yl)-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-(4-fluorophenyl)-N-(4-methoxy-1,3-benzothiazol-2-yl)-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-(4-fluorophenyl)-N-(4-methoxy-1,3-benzothiazol-2-yl)-1,3,4-oxadiazol-2-amine is COc1cccc2sc(Nc3nnc(-c4ccc(F)cc4)o3)nc12.
What is the InChIKey of 5-(4-fluorophenyl)-N-(4-methoxy-1,3-benzothiazol-2-yl)-1,3,4-oxadiazol-2-amine?
The InChIKey is TUNSTYGNRZSNSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11FN4O2S/c1-22-11-3-2-4-12-13(11)18-16(24-12)19-15-21-20-14(23-15)9-5-7-10(17)8-6-9/h2-8H,1H3,(H,18,19,21).
What are the key properties of 5-(4-fluorophenyl)-N-(4-methoxy-1,3-benzothiazol-2-yl)-1,3,4-oxadiazol-2-amine?
5-(4-fluorophenyl)-N-(4-methoxy-1,3-benzothiazol-2-yl)-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 5-(4-fluorophenyl)-N-(4-methoxy-1,3-benzothiazol-2-yl)-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 7109931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).