N-(2,5-dimethoxyphenyl)-2-[(5R)-2-(2,6-dimethylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide

C21H23N3O4S — CID 135692146

IUPACN-(2,5-dimethoxyphenyl)-2-[(5R)-2-(2,6-dimethylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide
SMILESCOc1ccc(OC)c(NC(=O)C[C@H]2S/C(=N\c3c(C)cccc3C)NC2=O)c1
InChIInChI=1S/C21H23N3O4S/c1-12-6-5-7-13(2)19(12)23-21-24-20(26)17(29-21)11-18(25)22-15-10-14(27-3)8-9-16(15)28-4/h5-10,17H,11H2,1-4H3,(H,22,25)(H,23,24,26)/t17-/m1/s1
InChIKeyBLQLKMCBFJTSHS-QGZVFWFLSA-N
MW413.50 g/mol
LogP3.57
Rot. Bonds6

About N-(2,5-dimethoxyphenyl)-2-[(5R)-2-(2,6-dimethylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide

N-(2,5-dimethoxyphenyl)-2-[(5R)-2-(2,6-dimethylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide (PubChem CID 135692146) has the molecular formula C21H23N3O4S and a molecular weight of 413.50 g/mol. Its IUPAC name is N-(2,5-dimethoxyphenyl)-2-[(5R)-2-(2,6-dimethylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide.

Molecular Properties

Compound NameN-(2,5-dimethoxyphenyl)-2-[(5R)-2-(2,6-dimethylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide
PubChem CID135692146
Molecular FormulaC21H23N3O4S
Molecular Weight413.50 g/mol
Exact Mass413.14
IUPAC NameN-(2,5-dimethoxyphenyl)-2-[(5R)-2-(2,6-dimethylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide
SMILESCOc1ccc(OC)c(NC(=O)C[C@H]2S/C(=N\c3c(C)cccc3C)NC2=O)c1
InChIInChI=1S/C21H23N3O4S/c1-12-6-5-7-13(2)19(12)23-21-24-20(26)17(29-21)11-18(25)22-15-10-14(27-3)8-9-16(15)28-4/h5-10,17H,11H2,1-4H3,(H,22,25)(H,23,24,26)/t17-/m1/s1
InChIKeyBLQLKMCBFJTSHS-QGZVFWFLSA-N
XLogP3.57
TPSA89.02 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.50
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2-[(5S)-2-(2,6-dimethylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(2-methoxyphenyl)acetamide
CID 135692137
N-(2,5-dimethoxyphenyl)-2-[(5R)-2-(3-methoxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 135691504
N-(2,5-dimethoxyphenyl)-2-[(5R)-2-(2-methoxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 135691540
2-[(5R)-2-(2,6-dimethylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(2-methylphenyl)acetamide
CID 135692169
2-[(5S)-2-(2,6-dimethylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(2-methylphenyl)acetamide
CID 135692170
2-(2-benzylimino-4-oxo-1,3-thiazolidin-5-yl)-N-(2,5-dimethoxyphenyl)acetamide
CID 135481479
N-(2-methoxyphenyl)-2-[(5R)-2-(4-methoxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 135691624
N-(2,4-difluorophenyl)-2-[(5R)-2-(2,6-dimethylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 135692172
N-(2,5-dimethoxyphenyl)-2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide
CID 1289338
2-[(5R)-2-(2,6-dimethylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-naphthalen-1-ylacetamide
CID 135692156
2-[(5S)-2-(2,6-diethylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(2-methoxyphenyl)acetamide
CID 135725287
2-[2-(2-methoxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(2-methylphenyl)acetamide
CID 135537406

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethoxyphenyl)-2-[(5R)-2-(2,6-dimethylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide?
The IUPAC name of N-(2,5-dimethoxyphenyl)-2-[(5R)-2-(2,6-dimethylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide (CID 135692146) is N-(2,5-dimethoxyphenyl)-2-[(5R)-2-(2,6-dimethylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide.
What is the SMILES notation for N-(2,5-dimethoxyphenyl)-2-[(5R)-2-(2,6-dimethylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide?
The canonical SMILES for N-(2,5-dimethoxyphenyl)-2-[(5R)-2-(2,6-dimethylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide is COc1ccc(OC)c(NC(=O)C[C@H]2S/C(=N\c3c(C)cccc3C)NC2=O)c1.
What is the InChIKey of N-(2,5-dimethoxyphenyl)-2-[(5R)-2-(2,6-dimethylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide?
The InChIKey is BLQLKMCBFJTSHS-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H23N3O4S/c1-12-6-5-7-13(2)19(12)23-21-24-20(26)17(29-21)11-18(25)22-15-10-14(27-3)8-9-16(15)28-4/h5-10,17H,11H2,1-4H3,(H,22,25)(H,23,24,26)/t17-/m1/s1.
What are the key properties of N-(2,5-dimethoxyphenyl)-2-[(5R)-2-(2,6-dimethylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide?
N-(2,5-dimethoxyphenyl)-2-[(5R)-2-(2,6-dimethylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide has a molecular weight of 413.50 g/mol, XLogP of 3.57, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethoxyphenyl)-2-[(5R)-2-(2,6-dimethylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide is sourced from PubChem (CID 135692146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).