2-[(5R)-2-(3,4-dimethylphenyl)imino-3-ethyl-4-oxo-1,3-thiazolidin-5-yl]-N-ethylacetamide

C17H23N3O2S — CID 40563947

IUPAC2-[(5R)-2-(3,4-dimethylphenyl)imino-3-ethyl-4-oxo-1,3-thiazolidin-5-yl]-N-ethylacetamide
SMILESCCNC(=O)C[C@H]1S/C(=N\c2ccc(C)c(C)c2)N(CC)C1=O
InChIInChI=1S/C17H23N3O2S/c1-5-18-15(21)10-14-16(22)20(6-2)17(23-14)19-13-8-7-11(3)12(4)9-13/h7-9,14H,5-6,10H2,1-4H3,(H,18,21)/b19-17-/t14-/m1/s1
InChIKeyOIXPCNIBIZYRAA-RMYFCYLKSA-N
MW333.46 g/mol
LogP2.78
Rot. Bonds5

About 2-[(5R)-2-(3,4-dimethylphenyl)imino-3-ethyl-4-oxo-1,3-thiazolidin-5-yl]-N-ethylacetamide

2-[(5R)-2-(3,4-dimethylphenyl)imino-3-ethyl-4-oxo-1,3-thiazolidin-5-yl]-N-ethylacetamide (PubChem CID 40563947) has the molecular formula C17H23N3O2S and a molecular weight of 333.46 g/mol. Its IUPAC name is 2-[(5R)-2-(3,4-dimethylphenyl)imino-3-ethyl-4-oxo-1,3-thiazolidin-5-yl]-N-ethylacetamide.

Molecular Properties

Compound Name2-[(5R)-2-(3,4-dimethylphenyl)imino-3-ethyl-4-oxo-1,3-thiazolidin-5-yl]-N-ethylacetamide
PubChem CID40563947
Molecular FormulaC17H23N3O2S
Molecular Weight333.46 g/mol
Exact Mass333.15
IUPAC Name2-[(5R)-2-(3,4-dimethylphenyl)imino-3-ethyl-4-oxo-1,3-thiazolidin-5-yl]-N-ethylacetamide
SMILESCCNC(=O)C[C@H]1S/C(=N\c2ccc(C)c(C)c2)N(CC)C1=O
InChIInChI=1S/C17H23N3O2S/c1-5-18-15(21)10-14-16(22)20(6-2)17(23-14)19-13-8-7-11(3)12(4)9-13/h7-9,14H,5-6,10H2,1-4H3,(H,18,21)/b19-17-/t14-/m1/s1
InChIKeyOIXPCNIBIZYRAA-RMYFCYLKSA-N
XLogP2.78
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.46
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2,6-dimethylphenyl)-2-[2-(3,4-dimethylphenyl)imino-3-ethyl-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 4054994
N-(2,5-dimethylphenyl)-2-[(5S)-3-ethyl-4-oxo-2-(4-propan-2-ylphenyl)imino-1,3-thiazolidin-5-yl]acetamide
CID 1217880
2-[3-[(2-chlorophenyl)methyl]-2-(3,4-dimethylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-methylacetamide
CID 42954767
N-(2,4-dimethylphenyl)-2-[(5R)-3-ethyl-2-(4-fluorophenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 7318827
2-[(5R)-3-ethyl-2-(4-iodophenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(3-methylphenyl)acetamide
CID 25408145
N-(2,6-dimethylphenyl)-2-[2-(3,4-dimethylphenyl)imino-4-oxo-3-(oxolan-2-ylmethyl)-1,3-thiazolidin-5-yl]acetamide
CID 42990753
2-[(5S)-3-ethyl-2-(4-iodophenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide
CID 41244800
N-(2,4-dimethylphenyl)-2-[(5S)-3-ethyl-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]acetamide
CID 7324019
N-(2,5-dimethylphenyl)-2-[3-ethyl-2-(3-methoxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 2936253
2-[3-ethyl-2-(4-fluorophenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(2-methoxy-5-methylphenyl)acetamide
CID 21368800
2-[(5S)-3-ethyl-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]acetate
CID 7176490
2-[3-ethyl-2-(4-fluorophenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(4-iodophenyl)acetamide
CID 3575056

Frequently Asked Questions

What is the IUPAC name of 2-[(5R)-2-(3,4-dimethylphenyl)imino-3-ethyl-4-oxo-1,3-thiazolidin-5-yl]-N-ethylacetamide?
The IUPAC name of 2-[(5R)-2-(3,4-dimethylphenyl)imino-3-ethyl-4-oxo-1,3-thiazolidin-5-yl]-N-ethylacetamide (CID 40563947) is 2-[(5R)-2-(3,4-dimethylphenyl)imino-3-ethyl-4-oxo-1,3-thiazolidin-5-yl]-N-ethylacetamide.
What is the SMILES notation for 2-[(5R)-2-(3,4-dimethylphenyl)imino-3-ethyl-4-oxo-1,3-thiazolidin-5-yl]-N-ethylacetamide?
The canonical SMILES for 2-[(5R)-2-(3,4-dimethylphenyl)imino-3-ethyl-4-oxo-1,3-thiazolidin-5-yl]-N-ethylacetamide is CCNC(=O)C[C@H]1S/C(=N\c2ccc(C)c(C)c2)N(CC)C1=O.
What is the InChIKey of 2-[(5R)-2-(3,4-dimethylphenyl)imino-3-ethyl-4-oxo-1,3-thiazolidin-5-yl]-N-ethylacetamide?
The InChIKey is OIXPCNIBIZYRAA-RMYFCYLKSA-N. The full InChI is InChI=1S/C17H23N3O2S/c1-5-18-15(21)10-14-16(22)20(6-2)17(23-14)19-13-8-7-11(3)12(4)9-13/h7-9,14H,5-6,10H2,1-4H3,(H,18,21)/b19-17-/t14-/m1/s1.
What are the key properties of 2-[(5R)-2-(3,4-dimethylphenyl)imino-3-ethyl-4-oxo-1,3-thiazolidin-5-yl]-N-ethylacetamide?
2-[(5R)-2-(3,4-dimethylphenyl)imino-3-ethyl-4-oxo-1,3-thiazolidin-5-yl]-N-ethylacetamide has a molecular weight of 333.46 g/mol, XLogP of 2.78, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5R)-2-(3,4-dimethylphenyl)imino-3-ethyl-4-oxo-1,3-thiazolidin-5-yl]-N-ethylacetamide is sourced from PubChem (CID 40563947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).