N-(2,5-dimethoxyphenyl)-2-[(5R)-2-morpholin-4-yl-4-oxo-1,3-thiazol-5-yl]acetamide

C17H21N3O5S — CID 9005741

IUPACN-(2,5-dimethoxyphenyl)-2-[(5R)-2-morpholin-4-yl-4-oxo-1,3-thiazol-5-yl]acetamide
SMILESCOc1ccc(OC)c(NC(=O)C[C@H]2SC(N3CCOCC3)=NC2=O)c1
InChIInChI=1S/C17H21N3O5S/c1-23-11-3-4-13(24-2)12(9-11)18-15(21)10-14-16(22)19-17(26-14)20-5-7-25-8-6-20/h3-4,9,14H,5-8,10H2,1-2H3,(H,18,21)/t14-/m1/s1
InChIKeyAZGLYCPUHXHCHX-CQSZACIVSA-N
MW379.44 g/mol
LogP1.36
Rot. Bonds5

About N-(2,5-dimethoxyphenyl)-2-[(5R)-2-morpholin-4-yl-4-oxo-1,3-thiazol-5-yl]acetamide

N-(2,5-dimethoxyphenyl)-2-[(5R)-2-morpholin-4-yl-4-oxo-1,3-thiazol-5-yl]acetamide (PubChem CID 9005741) has the molecular formula C17H21N3O5S and a molecular weight of 379.44 g/mol. Its IUPAC name is N-(2,5-dimethoxyphenyl)-2-[(5R)-2-morpholin-4-yl-4-oxo-1,3-thiazol-5-yl]acetamide.

Molecular Properties

Compound NameN-(2,5-dimethoxyphenyl)-2-[(5R)-2-morpholin-4-yl-4-oxo-1,3-thiazol-5-yl]acetamide
PubChem CID9005741
Molecular FormulaC17H21N3O5S
Molecular Weight379.44 g/mol
Exact Mass379.12
IUPAC NameN-(2,5-dimethoxyphenyl)-2-[(5R)-2-morpholin-4-yl-4-oxo-1,3-thiazol-5-yl]acetamide
SMILESCOc1ccc(OC)c(NC(=O)C[C@H]2SC(N3CCOCC3)=NC2=O)c1
InChIInChI=1S/C17H21N3O5S/c1-23-11-3-4-13(24-2)12(9-11)18-15(21)10-14-16(22)19-17(26-14)20-5-7-25-8-6-20/h3-4,9,14H,5-8,10H2,1-2H3,(H,18,21)/t14-/m1/s1
InChIKeyAZGLYCPUHXHCHX-CQSZACIVSA-N
XLogP1.36
TPSA89.46 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.44
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethoxyphenyl)-2-[(5R)-2-morpholin-4-yl-4-oxo-1,3-thiazol-5-yl]acetamide?
The IUPAC name of N-(2,5-dimethoxyphenyl)-2-[(5R)-2-morpholin-4-yl-4-oxo-1,3-thiazol-5-yl]acetamide (CID 9005741) is N-(2,5-dimethoxyphenyl)-2-[(5R)-2-morpholin-4-yl-4-oxo-1,3-thiazol-5-yl]acetamide.
What is the SMILES notation for N-(2,5-dimethoxyphenyl)-2-[(5R)-2-morpholin-4-yl-4-oxo-1,3-thiazol-5-yl]acetamide?
The canonical SMILES for N-(2,5-dimethoxyphenyl)-2-[(5R)-2-morpholin-4-yl-4-oxo-1,3-thiazol-5-yl]acetamide is COc1ccc(OC)c(NC(=O)C[C@H]2SC(N3CCOCC3)=NC2=O)c1.
What is the InChIKey of N-(2,5-dimethoxyphenyl)-2-[(5R)-2-morpholin-4-yl-4-oxo-1,3-thiazol-5-yl]acetamide?
The InChIKey is AZGLYCPUHXHCHX-CQSZACIVSA-N. The full InChI is InChI=1S/C17H21N3O5S/c1-23-11-3-4-13(24-2)12(9-11)18-15(21)10-14-16(22)19-17(26-14)20-5-7-25-8-6-20/h3-4,9,14H,5-8,10H2,1-2H3,(H,18,21)/t14-/m1/s1.
What are the key properties of N-(2,5-dimethoxyphenyl)-2-[(5R)-2-morpholin-4-yl-4-oxo-1,3-thiazol-5-yl]acetamide?
N-(2,5-dimethoxyphenyl)-2-[(5R)-2-morpholin-4-yl-4-oxo-1,3-thiazol-5-yl]acetamide has a molecular weight of 379.44 g/mol, XLogP of 1.36, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethoxyphenyl)-2-[(5R)-2-morpholin-4-yl-4-oxo-1,3-thiazol-5-yl]acetamide is sourced from PubChem (CID 9005741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).