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

C15H8ClFN4OS — CID 7109971

IUPAC5-(2-chlorophenyl)-N-(4-fluoro-1,3-benzothiazol-2-yl)-1,3,4-oxadiazol-2-amine
SMILESFc1cccc2sc(Nc3nnc(-c4ccccc4Cl)o3)nc12
InChIInChI=1S/C15H8ClFN4OS/c16-9-5-2-1-4-8(9)13-20-21-14(22-13)19-15-18-12-10(17)6-3-7-11(12)23-15/h1-7H,(H,18,19,21)
InChIKeyAPIYOMZWSZTBMF-UHFFFAOYSA-N
MW346.77 g/mol
LogP4.88
Rot. Bonds3

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

5-(2-chlorophenyl)-N-(4-fluoro-1,3-benzothiazol-2-yl)-1,3,4-oxadiazol-2-amine (PubChem CID 7109971) has the molecular formula C15H8ClFN4OS and a molecular weight of 346.77 g/mol. Its IUPAC name is 5-(2-chlorophenyl)-N-(4-fluoro-1,3-benzothiazol-2-yl)-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-(2-chlorophenyl)-N-(4-fluoro-1,3-benzothiazol-2-yl)-1,3,4-oxadiazol-2-amine
PubChem CID7109971
Molecular FormulaC15H8ClFN4OS
Molecular Weight346.77 g/mol
Exact Mass346.01
IUPAC Name5-(2-chlorophenyl)-N-(4-fluoro-1,3-benzothiazol-2-yl)-1,3,4-oxadiazol-2-amine
SMILESFc1cccc2sc(Nc3nnc(-c4ccccc4Cl)o3)nc12
InChIInChI=1S/C15H8ClFN4OS/c16-9-5-2-1-4-8(9)13-20-21-14(22-13)19-15-18-12-10(17)6-3-7-11(12)23-15/h1-7H,(H,18,19,21)
InChIKeyAPIYOMZWSZTBMF-UHFFFAOYSA-N
XLogP4.88
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.77
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(2-chlorophenyl)-N-(4-fluoro-1,3-benzothiazol-2-yl)-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-(2-chlorophenyl)-N-(4-fluoro-1,3-benzothiazol-2-yl)-1,3,4-oxadiazol-2-amine (CID 7109971) is 5-(2-chlorophenyl)-N-(4-fluoro-1,3-benzothiazol-2-yl)-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-(2-chlorophenyl)-N-(4-fluoro-1,3-benzothiazol-2-yl)-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-(2-chlorophenyl)-N-(4-fluoro-1,3-benzothiazol-2-yl)-1,3,4-oxadiazol-2-amine is Fc1cccc2sc(Nc3nnc(-c4ccccc4Cl)o3)nc12.
What is the InChIKey of 5-(2-chlorophenyl)-N-(4-fluoro-1,3-benzothiazol-2-yl)-1,3,4-oxadiazol-2-amine?
The InChIKey is APIYOMZWSZTBMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8ClFN4OS/c16-9-5-2-1-4-8(9)13-20-21-14(22-13)19-15-18-12-10(17)6-3-7-11(12)23-15/h1-7H,(H,18,19,21).
What are the key properties of 5-(2-chlorophenyl)-N-(4-fluoro-1,3-benzothiazol-2-yl)-1,3,4-oxadiazol-2-amine?
5-(2-chlorophenyl)-N-(4-fluoro-1,3-benzothiazol-2-yl)-1,3,4-oxadiazol-2-amine has a molecular weight of 346.77 g/mol, XLogP of 4.88, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chlorophenyl)-N-(4-fluoro-1,3-benzothiazol-2-yl)-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 7109971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).