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

C23H25FN2O5S — CID 46009472

IUPACN-[[2-[(2,6-dimethoxyphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-2-fluoro-N-(2-methoxyethyl)benzamide
SMILESCOCCN(Cc1csc(COc2c(OC)cccc2OC)n1)C(=O)c1ccccc1F
InChIInChI=1S/C23H25FN2O5S/c1-28-12-11-26(23(27)17-7-4-5-8-18(17)24)13-16-15-32-21(25-16)14-31-22-19(29-2)9-6-10-20(22)30-3/h4-10,15H,11-14H2,1-3H3
InChIKeyVNVUZRZADQQSGT-UHFFFAOYSA-N
MW460.53 g/mol
LogP4.17
Rot. Bonds11

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

N-[[2-[(2,6-dimethoxyphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-2-fluoro-N-(2-methoxyethyl)benzamide (PubChem CID 46009472) has the molecular formula C23H25FN2O5S and a molecular weight of 460.53 g/mol. Its IUPAC name is N-[[2-[(2,6-dimethoxyphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-2-fluoro-N-(2-methoxyethyl)benzamide.

Molecular Properties

Compound NameN-[[2-[(2,6-dimethoxyphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-2-fluoro-N-(2-methoxyethyl)benzamide
PubChem CID46009472
Molecular FormulaC23H25FN2O5S
Molecular Weight460.53 g/mol
Exact Mass460.15
IUPAC NameN-[[2-[(2,6-dimethoxyphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-2-fluoro-N-(2-methoxyethyl)benzamide
SMILESCOCCN(Cc1csc(COc2c(OC)cccc2OC)n1)C(=O)c1ccccc1F
InChIInChI=1S/C23H25FN2O5S/c1-28-12-11-26(23(27)17-7-4-5-8-18(17)24)13-16-15-32-21(25-16)14-31-22-19(29-2)9-6-10-20(22)30-3/h4-10,15H,11-14H2,1-3H3
InChIKeyVNVUZRZADQQSGT-UHFFFAOYSA-N
XLogP4.17
TPSA70.12 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.53
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze N-[[2-[(2,6-dimethoxyphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-2-fluoro-N-(2-methoxyethyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(2,6-dimethoxyphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-2-fluoro-N-(2-methoxyethyl)benzamide?
The IUPAC name of N-[[2-[(2,6-dimethoxyphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-2-fluoro-N-(2-methoxyethyl)benzamide (CID 46009472) is N-[[2-[(2,6-dimethoxyphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-2-fluoro-N-(2-methoxyethyl)benzamide.
What is the SMILES notation for N-[[2-[(2,6-dimethoxyphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-2-fluoro-N-(2-methoxyethyl)benzamide?
The canonical SMILES for N-[[2-[(2,6-dimethoxyphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-2-fluoro-N-(2-methoxyethyl)benzamide is COCCN(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-(2-methoxyethyl)benzamide?
The InChIKey is VNVUZRZADQQSGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN2O5S/c1-28-12-11-26(23(27)17-7-4-5-8-18(17)24)13-16-15-32-21(25-16)14-31-22-19(29-2)9-6-10-20(22)30-3/h4-10,15H,11-14H2,1-3H3.
What are the key properties of N-[[2-[(2,6-dimethoxyphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-2-fluoro-N-(2-methoxyethyl)benzamide?
N-[[2-[(2,6-dimethoxyphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-2-fluoro-N-(2-methoxyethyl)benzamide has a molecular weight of 460.53 g/mol, XLogP of 4.17, 11 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-(2-methoxyethyl)benzamide is sourced from PubChem (CID 46009472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).