N-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-1,3-benzothiazole-2-carboxamide

C17H11FN4O2S — CID 16917526

IUPACN-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-1,3-benzothiazole-2-carboxamide
SMILESO=C(Nc1nnc(Cc2ccc(F)cc2)o1)c1nc2ccccc2s1
InChIInChI=1S/C17H11FN4O2S/c18-11-7-5-10(6-8-11)9-14-21-22-17(24-14)20-15(23)16-19-12-3-1-2-4-13(12)25-16/h1-8H,9H2,(H,20,22,23)
InChIKeyKBKNHHDTGXBOGZ-UHFFFAOYSA-N
MW354.37 g/mol
LogP3.66
Rot. Bonds4

About N-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-1,3-benzothiazole-2-carboxamide

N-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-1,3-benzothiazole-2-carboxamide (PubChem CID 16917526) has the molecular formula C17H11FN4O2S and a molecular weight of 354.37 g/mol. Its IUPAC name is N-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-1,3-benzothiazole-2-carboxamide.

Molecular Properties

Compound NameN-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-1,3-benzothiazole-2-carboxamide
PubChem CID16917526
Molecular FormulaC17H11FN4O2S
Molecular Weight354.37 g/mol
Exact Mass354.06
IUPAC NameN-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-1,3-benzothiazole-2-carboxamide
SMILESO=C(Nc1nnc(Cc2ccc(F)cc2)o1)c1nc2ccccc2s1
InChIInChI=1S/C17H11FN4O2S/c18-11-7-5-10(6-8-11)9-14-21-22-17(24-14)20-15(23)16-19-12-3-1-2-4-13(12)25-16/h1-8H,9H2,(H,20,22,23)
InChIKeyKBKNHHDTGXBOGZ-UHFFFAOYSA-N
XLogP3.66
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.37
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-1,3-benzothiazole-2-carboxamide?
The IUPAC name of N-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-1,3-benzothiazole-2-carboxamide (CID 16917526) is N-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-1,3-benzothiazole-2-carboxamide.
What is the SMILES notation for N-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-1,3-benzothiazole-2-carboxamide?
The canonical SMILES for N-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-1,3-benzothiazole-2-carboxamide is O=C(Nc1nnc(Cc2ccc(F)cc2)o1)c1nc2ccccc2s1.
What is the InChIKey of N-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-1,3-benzothiazole-2-carboxamide?
The InChIKey is KBKNHHDTGXBOGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11FN4O2S/c18-11-7-5-10(6-8-11)9-14-21-22-17(24-14)20-15(23)16-19-12-3-1-2-4-13(12)25-16/h1-8H,9H2,(H,20,22,23).
What are the key properties of N-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-1,3-benzothiazole-2-carboxamide?
N-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-1,3-benzothiazole-2-carboxamide has a molecular weight of 354.37 g/mol, XLogP of 3.66, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-1,3-benzothiazole-2-carboxamide is sourced from PubChem (CID 16917526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).