N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-2-phenylmethoxybenzamide

C24H19FN2O2S — CID 5139282

IUPACN-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-2-phenylmethoxybenzamide
SMILESO=C(Nc1ncc(Cc2ccc(F)cc2)s1)c1ccccc1OCc1ccccc1
InChIInChI=1S/C24H19FN2O2S/c25-19-12-10-17(11-13-19)14-20-15-26-24(30-20)27-23(28)21-8-4-5-9-22(21)29-16-18-6-2-1-3-7-18/h1-13,15H,14,16H2,(H,26,27,28)
InChIKeyZOISFEJUMVIQPA-UHFFFAOYSA-N
MW418.49 g/mol
LogP5.70
Rot. Bonds7

About N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-2-phenylmethoxybenzamide

N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-2-phenylmethoxybenzamide (PubChem CID 5139282) has the molecular formula C24H19FN2O2S and a molecular weight of 418.49 g/mol. Its IUPAC name is N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-2-phenylmethoxybenzamide.

Molecular Properties

Compound NameN-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-2-phenylmethoxybenzamide
PubChem CID5139282
Molecular FormulaC24H19FN2O2S
Molecular Weight418.49 g/mol
Exact Mass418.12
IUPAC NameN-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-2-phenylmethoxybenzamide
SMILESO=C(Nc1ncc(Cc2ccc(F)cc2)s1)c1ccccc1OCc1ccccc1
InChIInChI=1S/C24H19FN2O2S/c25-19-12-10-17(11-13-19)14-20-15-26-24(30-20)27-23(28)21-8-4-5-9-22(21)29-16-18-6-2-1-3-7-18/h1-13,15H,14,16H2,(H,26,27,28)
InChIKeyZOISFEJUMVIQPA-UHFFFAOYSA-N
XLogP5.70
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.49
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-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-2-phenylmethoxybenzamide?
The IUPAC name of N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-2-phenylmethoxybenzamide (CID 5139282) is N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-2-phenylmethoxybenzamide.
What is the SMILES notation for N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-2-phenylmethoxybenzamide?
The canonical SMILES for N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-2-phenylmethoxybenzamide is O=C(Nc1ncc(Cc2ccc(F)cc2)s1)c1ccccc1OCc1ccccc1.
What is the InChIKey of N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-2-phenylmethoxybenzamide?
The InChIKey is ZOISFEJUMVIQPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19FN2O2S/c25-19-12-10-17(11-13-19)14-20-15-26-24(30-20)27-23(28)21-8-4-5-9-22(21)29-16-18-6-2-1-3-7-18/h1-13,15H,14,16H2,(H,26,27,28).
What are the key properties of N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-2-phenylmethoxybenzamide?
N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-2-phenylmethoxybenzamide has a molecular weight of 418.49 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-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-2-phenylmethoxybenzamide is sourced from PubChem (CID 5139282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).