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

C20H21N3O2S — CID 135401382

IUPACN-benzyl-2-[2-(3,4-dimethylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide
SMILESCc1ccc(/N=C2/NC(=O)C(CC(=O)NCc3ccccc3)S2)cc1C
InChIInChI=1S/C20H21N3O2S/c1-13-8-9-16(10-14(13)2)22-20-23-19(25)17(26-20)11-18(24)21-12-15-6-4-3-5-7-15/h3-10,17H,11-12H2,1-2H3,(H,21,24)(H,22,23,25)
InChIKeyYEWQCBSRSZZHQO-UHFFFAOYSA-N
MW367.47 g/mol
LogP3.23
Rot. Bonds5

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

N-benzyl-2-[2-(3,4-dimethylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide (PubChem CID 135401382) has the molecular formula C20H21N3O2S and a molecular weight of 367.47 g/mol. Its IUPAC name is N-benzyl-2-[2-(3,4-dimethylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide.

Molecular Properties

Compound NameN-benzyl-2-[2-(3,4-dimethylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide
PubChem CID135401382
Molecular FormulaC20H21N3O2S
Molecular Weight367.47 g/mol
Exact Mass367.14
IUPAC NameN-benzyl-2-[2-(3,4-dimethylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide
SMILESCc1ccc(/N=C2/NC(=O)C(CC(=O)NCc3ccccc3)S2)cc1C
InChIInChI=1S/C20H21N3O2S/c1-13-8-9-16(10-14(13)2)22-20-23-19(25)17(26-20)11-18(24)21-12-15-6-4-3-5-7-15/h3-10,17H,11-12H2,1-2H3,(H,21,24)(H,22,23,25)
InChIKeyYEWQCBSRSZZHQO-UHFFFAOYSA-N
XLogP3.23
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.47
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[2-(3,4-dimethylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide?
The IUPAC name of N-benzyl-2-[2-(3,4-dimethylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide (CID 135401382) is N-benzyl-2-[2-(3,4-dimethylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide.
What is the SMILES notation for N-benzyl-2-[2-(3,4-dimethylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide?
The canonical SMILES for N-benzyl-2-[2-(3,4-dimethylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide is Cc1ccc(/N=C2/NC(=O)C(CC(=O)NCc3ccccc3)S2)cc1C.
What is the InChIKey of N-benzyl-2-[2-(3,4-dimethylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide?
The InChIKey is YEWQCBSRSZZHQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2S/c1-13-8-9-16(10-14(13)2)22-20-23-19(25)17(26-20)11-18(24)21-12-15-6-4-3-5-7-15/h3-10,17H,11-12H2,1-2H3,(H,21,24)(H,22,23,25).
What are the key properties of N-benzyl-2-[2-(3,4-dimethylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide?
N-benzyl-2-[2-(3,4-dimethylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide has a molecular weight of 367.47 g/mol, XLogP of 3.23, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[2-(3,4-dimethylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide is sourced from PubChem (CID 135401382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).