N-(5-benzyl-1,3-thiazol-2-yl)-3-[5-(4-fluorophenyl)furan-2-yl]propanamide

C23H19FN2O2S — CID 17015011

IUPACN-(5-benzyl-1,3-thiazol-2-yl)-3-[5-(4-fluorophenyl)furan-2-yl]propanamide
SMILESO=C(CCc1ccc(-c2ccc(F)cc2)o1)Nc1ncc(Cc2ccccc2)s1
InChIInChI=1S/C23H19FN2O2S/c24-18-8-6-17(7-9-18)21-12-10-19(28-21)11-13-22(27)26-23-25-15-20(29-23)14-16-4-2-1-3-5-16/h1-10,12,15H,11,13-14H2,(H,25,26,27)
InChIKeyNESWLGJURQEZIS-UHFFFAOYSA-N
MW406.48 g/mol
LogP5.70
Rot. Bonds7

About N-(5-benzyl-1,3-thiazol-2-yl)-3-[5-(4-fluorophenyl)furan-2-yl]propanamide

N-(5-benzyl-1,3-thiazol-2-yl)-3-[5-(4-fluorophenyl)furan-2-yl]propanamide (PubChem CID 17015011) has the molecular formula C23H19FN2O2S and a molecular weight of 406.48 g/mol. Its IUPAC name is N-(5-benzyl-1,3-thiazol-2-yl)-3-[5-(4-fluorophenyl)furan-2-yl]propanamide.

Molecular Properties

Compound NameN-(5-benzyl-1,3-thiazol-2-yl)-3-[5-(4-fluorophenyl)furan-2-yl]propanamide
PubChem CID17015011
Molecular FormulaC23H19FN2O2S
Molecular Weight406.48 g/mol
Exact Mass406.12
IUPAC NameN-(5-benzyl-1,3-thiazol-2-yl)-3-[5-(4-fluorophenyl)furan-2-yl]propanamide
SMILESO=C(CCc1ccc(-c2ccc(F)cc2)o1)Nc1ncc(Cc2ccccc2)s1
InChIInChI=1S/C23H19FN2O2S/c24-18-8-6-17(7-9-18)21-12-10-19(28-21)11-13-22(27)26-23-25-15-20(29-23)14-16-4-2-1-3-5-16/h1-10,12,15H,11,13-14H2,(H,25,26,27)
InChIKeyNESWLGJURQEZIS-UHFFFAOYSA-N
XLogP5.70
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.48
LogP ≤ 55.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(5-benzyl-1,3-thiazol-2-yl)-3-[5-(4-fluorophenyl)furan-2-yl]propanamide?
The IUPAC name of N-(5-benzyl-1,3-thiazol-2-yl)-3-[5-(4-fluorophenyl)furan-2-yl]propanamide (CID 17015011) is N-(5-benzyl-1,3-thiazol-2-yl)-3-[5-(4-fluorophenyl)furan-2-yl]propanamide.
What is the SMILES notation for N-(5-benzyl-1,3-thiazol-2-yl)-3-[5-(4-fluorophenyl)furan-2-yl]propanamide?
The canonical SMILES for N-(5-benzyl-1,3-thiazol-2-yl)-3-[5-(4-fluorophenyl)furan-2-yl]propanamide is O=C(CCc1ccc(-c2ccc(F)cc2)o1)Nc1ncc(Cc2ccccc2)s1.
What is the InChIKey of N-(5-benzyl-1,3-thiazol-2-yl)-3-[5-(4-fluorophenyl)furan-2-yl]propanamide?
The InChIKey is NESWLGJURQEZIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19FN2O2S/c24-18-8-6-17(7-9-18)21-12-10-19(28-21)11-13-22(27)26-23-25-15-20(29-23)14-16-4-2-1-3-5-16/h1-10,12,15H,11,13-14H2,(H,25,26,27).
What are the key properties of N-(5-benzyl-1,3-thiazol-2-yl)-3-[5-(4-fluorophenyl)furan-2-yl]propanamide?
N-(5-benzyl-1,3-thiazol-2-yl)-3-[5-(4-fluorophenyl)furan-2-yl]propanamide has a molecular weight of 406.48 g/mol, XLogP of 5.70, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-benzyl-1,3-thiazol-2-yl)-3-[5-(4-fluorophenyl)furan-2-yl]propanamide is sourced from PubChem (CID 17015011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).