N-[[2-[(2,6-dimethoxyphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-2-fluoro-N-(3-methoxypropyl)benzamide

C24H27FN2O5S — CID 46009526

IUPACN-[[2-[(2,6-dimethoxyphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-2-fluoro-N-(3-methoxypropyl)benzamide
SMILESCOCCCN(Cc1csc(COc2c(OC)cccc2OC)n1)C(=O)c1ccccc1F
InChIInChI=1S/C24H27FN2O5S/c1-29-13-7-12-27(24(28)18-8-4-5-9-19(18)25)14-17-16-33-22(26-17)15-32-23-20(30-2)10-6-11-21(23)31-3/h4-6,8-11,16H,7,12-15H2,1-3H3
InChIKeyIIEAQKHBQWQVBA-UHFFFAOYSA-N
MW474.55 g/mol
LogP4.56
Rot. Bonds12

About N-[[2-[(2,6-dimethoxyphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-2-fluoro-N-(3-methoxypropyl)benzamide

N-[[2-[(2,6-dimethoxyphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-2-fluoro-N-(3-methoxypropyl)benzamide (PubChem CID 46009526) has the molecular formula C24H27FN2O5S and a molecular weight of 474.55 g/mol. Its IUPAC name is N-[[2-[(2,6-dimethoxyphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-2-fluoro-N-(3-methoxypropyl)benzamide.

Molecular Properties

Compound NameN-[[2-[(2,6-dimethoxyphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-2-fluoro-N-(3-methoxypropyl)benzamide
PubChem CID46009526
Molecular FormulaC24H27FN2O5S
Molecular Weight474.55 g/mol
Exact Mass474.16
IUPAC NameN-[[2-[(2,6-dimethoxyphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-2-fluoro-N-(3-methoxypropyl)benzamide
SMILESCOCCCN(Cc1csc(COc2c(OC)cccc2OC)n1)C(=O)c1ccccc1F
InChIInChI=1S/C24H27FN2O5S/c1-29-13-7-12-27(24(28)18-8-4-5-9-19(18)25)14-17-16-33-22(26-17)15-32-23-20(30-2)10-6-11-21(23)31-3/h4-6,8-11,16H,7,12-15H2,1-3H3
InChIKeyIIEAQKHBQWQVBA-UHFFFAOYSA-N
XLogP4.56
TPSA70.12 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.55
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[[2-[(2,6-dimethoxyphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-2-fluoro-N-(3-methoxypropyl)benzamide?
The IUPAC name of N-[[2-[(2,6-dimethoxyphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-2-fluoro-N-(3-methoxypropyl)benzamide (CID 46009526) is N-[[2-[(2,6-dimethoxyphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-2-fluoro-N-(3-methoxypropyl)benzamide.
What is the SMILES notation for N-[[2-[(2,6-dimethoxyphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-2-fluoro-N-(3-methoxypropyl)benzamide?
The canonical SMILES for N-[[2-[(2,6-dimethoxyphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-2-fluoro-N-(3-methoxypropyl)benzamide is COCCCN(Cc1csc(COc2c(OC)cccc2OC)n1)C(=O)c1ccccc1F.
What is the InChIKey of N-[[2-[(2,6-dimethoxyphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-2-fluoro-N-(3-methoxypropyl)benzamide?
The InChIKey is IIEAQKHBQWQVBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27FN2O5S/c1-29-13-7-12-27(24(28)18-8-4-5-9-19(18)25)14-17-16-33-22(26-17)15-32-23-20(30-2)10-6-11-21(23)31-3/h4-6,8-11,16H,7,12-15H2,1-3H3.
What are the key properties of N-[[2-[(2,6-dimethoxyphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-2-fluoro-N-(3-methoxypropyl)benzamide?
N-[[2-[(2,6-dimethoxyphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-2-fluoro-N-(3-methoxypropyl)benzamide has a molecular weight of 474.55 g/mol, XLogP of 4.56, 12 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(2,6-dimethoxyphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-2-fluoro-N-(3-methoxypropyl)benzamide is sourced from PubChem (CID 46009526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).