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

C13H10FN3O2S — CID 56792644

IUPAC4-fluoro-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-1-benzothiophene-2-carboxamide
SMILESCc1nonc1CNC(=O)c1cc2c(F)cccc2s1
InChIInChI=1S/C13H10FN3O2S/c1-7-10(17-19-16-7)6-15-13(18)12-5-8-9(14)3-2-4-11(8)20-12/h2-5H,6H2,1H3,(H,15,18)
InChIKeyNWTJCQPSBUNCPX-UHFFFAOYSA-N
MW291.31 g/mol
LogP2.66
Rot. Bonds3

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

4-fluoro-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-1-benzothiophene-2-carboxamide (PubChem CID 56792644) has the molecular formula C13H10FN3O2S and a molecular weight of 291.31 g/mol. Its IUPAC name is 4-fluoro-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name4-fluoro-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-1-benzothiophene-2-carboxamide
PubChem CID56792644
Molecular FormulaC13H10FN3O2S
Molecular Weight291.31 g/mol
Exact Mass291.05
IUPAC Name4-fluoro-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-1-benzothiophene-2-carboxamide
SMILESCc1nonc1CNC(=O)c1cc2c(F)cccc2s1
InChIInChI=1S/C13H10FN3O2S/c1-7-10(17-19-16-7)6-15-13(18)12-5-8-9(14)3-2-4-11(8)20-12/h2-5H,6H2,1H3,(H,15,18)
InChIKeyNWTJCQPSBUNCPX-UHFFFAOYSA-N
XLogP2.66
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-1-benzothiophene-2-carboxamide?
The IUPAC name of 4-fluoro-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-1-benzothiophene-2-carboxamide (CID 56792644) is 4-fluoro-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 4-fluoro-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-1-benzothiophene-2-carboxamide?
The canonical SMILES for 4-fluoro-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-1-benzothiophene-2-carboxamide is Cc1nonc1CNC(=O)c1cc2c(F)cccc2s1.
What is the InChIKey of 4-fluoro-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-1-benzothiophene-2-carboxamide?
The InChIKey is NWTJCQPSBUNCPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10FN3O2S/c1-7-10(17-19-16-7)6-15-13(18)12-5-8-9(14)3-2-4-11(8)20-12/h2-5H,6H2,1H3,(H,15,18).
What are the key properties of 4-fluoro-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-1-benzothiophene-2-carboxamide?
4-fluoro-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-1-benzothiophene-2-carboxamide has a molecular weight of 291.31 g/mol, XLogP of 2.66, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 56792644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).