2-fluoro-N-[[3-[[4-(hydroxymethyl)-1,3-thiazol-2-yl]methoxy]-4-methoxyphenyl]methyl]-N-(2-methoxyethyl)benzamide

C23H25FN2O5S — CID 46006377

IUPAC2-fluoro-N-[[3-[[4-(hydroxymethyl)-1,3-thiazol-2-yl]methoxy]-4-methoxyphenyl]methyl]-N-(2-methoxyethyl)benzamide
SMILESCOCCN(Cc1ccc(OC)c(OCc2nc(CO)cs2)c1)C(=O)c1ccccc1F
InChIInChI=1S/C23H25FN2O5S/c1-29-10-9-26(23(28)18-5-3-4-6-19(18)24)12-16-7-8-20(30-2)21(11-16)31-14-22-25-17(13-27)15-32-22/h3-8,11,15,27H,9-10,12-14H2,1-2H3
InChIKeyVXMDXRRAMHZTAS-UHFFFAOYSA-N
MW460.53 g/mol
LogP3.65
Rot. Bonds11

About 2-fluoro-N-[[3-[[4-(hydroxymethyl)-1,3-thiazol-2-yl]methoxy]-4-methoxyphenyl]methyl]-N-(2-methoxyethyl)benzamide

2-fluoro-N-[[3-[[4-(hydroxymethyl)-1,3-thiazol-2-yl]methoxy]-4-methoxyphenyl]methyl]-N-(2-methoxyethyl)benzamide (PubChem CID 46006377) has the molecular formula C23H25FN2O5S and a molecular weight of 460.53 g/mol. Its IUPAC name is 2-fluoro-N-[[3-[[4-(hydroxymethyl)-1,3-thiazol-2-yl]methoxy]-4-methoxyphenyl]methyl]-N-(2-methoxyethyl)benzamide.

Molecular Properties

Compound Name2-fluoro-N-[[3-[[4-(hydroxymethyl)-1,3-thiazol-2-yl]methoxy]-4-methoxyphenyl]methyl]-N-(2-methoxyethyl)benzamide
PubChem CID46006377
Molecular FormulaC23H25FN2O5S
Molecular Weight460.53 g/mol
Exact Mass460.15
IUPAC Name2-fluoro-N-[[3-[[4-(hydroxymethyl)-1,3-thiazol-2-yl]methoxy]-4-methoxyphenyl]methyl]-N-(2-methoxyethyl)benzamide
SMILESCOCCN(Cc1ccc(OC)c(OCc2nc(CO)cs2)c1)C(=O)c1ccccc1F
InChIInChI=1S/C23H25FN2O5S/c1-29-10-9-26(23(28)18-5-3-4-6-19(18)24)12-16-7-8-20(30-2)21(11-16)31-14-22-25-17(13-27)15-32-22/h3-8,11,15,27H,9-10,12-14H2,1-2H3
InChIKeyVXMDXRRAMHZTAS-UHFFFAOYSA-N
XLogP3.65
TPSA81.12 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.53
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[[2-[(2,3-dimethylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-2-fluoro-N-(2-methoxyethyl)benzamide
CID 46009064
N-[(4-fluorophenyl)methyl]-N-[[3-[[4-(hydroxymethyl)-1,3-thiazol-2-yl]methoxy]-4-methoxyphenyl]methyl]acetamide
CID 42836734
N-[(4-fluorophenyl)methyl]-N-[[3-[[4-(hydroxymethyl)-1,3-thiazol-2-yl]methoxy]-4-methoxyphenyl]methyl]-3-methylbutanamide
CID 46006438
4-chloro-N-[[3-[[4-(hydroxymethyl)-1,3-thiazol-2-yl]methoxy]-4-methoxyphenyl]methyl]-N-propan-2-ylbenzamide
CID 46006413
N-(cyclopropylmethyl)-2-fluoro-N-[[4-[[4-(hydroxymethyl)-1,3-thiazol-2-yl]methoxy]phenyl]methyl]benzamide
CID 42836695
2-methoxy-N-(2-methoxyethyl)-N-[[2-[(2-propan-2-ylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]benzamide
CID 46008079
N-(furan-2-ylmethyl)-N-[[3-[[4-(hydroxymethyl)-1,3-thiazol-2-yl]methoxy]-4-methoxyphenyl]methyl]-2-methylpropanamide
CID 46006387
2-methoxy-N-(2-methoxyethyl)-N-[[2-[(2-methoxyphenoxy)methyl]-1,3-thiazol-4-yl]methyl]acetamide
CID 46008456
N-(2-methoxyethyl)-2-methyl-N-[[2-(phenoxymethyl)-1,3-thiazol-4-yl]methyl]benzamide
CID 46009190
N-[[2-[(2,5-dichlorophenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-[2-(dimethylamino)ethyl]-2-fluorobenzamide
CID 46013197
N-[[5-chloro-2-[[4-(hydroxymethyl)-1,3-thiazol-2-yl]methoxy]phenyl]methyl]-2-fluoro-N-(1-phenylethyl)benzamide
CID 46006494
N-[(3,4-dimethoxyphenyl)methyl]-2-fluoro-N-(pyridin-4-ylmethyl)benzamide
CID 42381836

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[[3-[[4-(hydroxymethyl)-1,3-thiazol-2-yl]methoxy]-4-methoxyphenyl]methyl]-N-(2-methoxyethyl)benzamide?
The IUPAC name of 2-fluoro-N-[[3-[[4-(hydroxymethyl)-1,3-thiazol-2-yl]methoxy]-4-methoxyphenyl]methyl]-N-(2-methoxyethyl)benzamide (CID 46006377) is 2-fluoro-N-[[3-[[4-(hydroxymethyl)-1,3-thiazol-2-yl]methoxy]-4-methoxyphenyl]methyl]-N-(2-methoxyethyl)benzamide.
What is the SMILES notation for 2-fluoro-N-[[3-[[4-(hydroxymethyl)-1,3-thiazol-2-yl]methoxy]-4-methoxyphenyl]methyl]-N-(2-methoxyethyl)benzamide?
The canonical SMILES for 2-fluoro-N-[[3-[[4-(hydroxymethyl)-1,3-thiazol-2-yl]methoxy]-4-methoxyphenyl]methyl]-N-(2-methoxyethyl)benzamide is COCCN(Cc1ccc(OC)c(OCc2nc(CO)cs2)c1)C(=O)c1ccccc1F.
What is the InChIKey of 2-fluoro-N-[[3-[[4-(hydroxymethyl)-1,3-thiazol-2-yl]methoxy]-4-methoxyphenyl]methyl]-N-(2-methoxyethyl)benzamide?
The InChIKey is VXMDXRRAMHZTAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN2O5S/c1-29-10-9-26(23(28)18-5-3-4-6-19(18)24)12-16-7-8-20(30-2)21(11-16)31-14-22-25-17(13-27)15-32-22/h3-8,11,15,27H,9-10,12-14H2,1-2H3.
What are the key properties of 2-fluoro-N-[[3-[[4-(hydroxymethyl)-1,3-thiazol-2-yl]methoxy]-4-methoxyphenyl]methyl]-N-(2-methoxyethyl)benzamide?
2-fluoro-N-[[3-[[4-(hydroxymethyl)-1,3-thiazol-2-yl]methoxy]-4-methoxyphenyl]methyl]-N-(2-methoxyethyl)benzamide has a molecular weight of 460.53 g/mol, XLogP of 3.65, 11 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[[3-[[4-(hydroxymethyl)-1,3-thiazol-2-yl]methoxy]-4-methoxyphenyl]methyl]-N-(2-methoxyethyl)benzamide is sourced from PubChem (CID 46006377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).