2-(3-benzyl-2,4-dioxo-1,3-thiazolidin-5-yl)-N-(1,3-thiazol-2-yl)acetamide

C15H13N3O3S2 — CID 3827607

IUPAC2-(3-benzyl-2,4-dioxo-1,3-thiazolidin-5-yl)-N-(1,3-thiazol-2-yl)acetamide
SMILESO=C(CC1SC(=O)N(Cc2ccccc2)C1=O)Nc1nccs1
InChIInChI=1S/C15H13N3O3S2/c19-12(17-14-16-6-7-22-14)8-11-13(20)18(15(21)23-11)9-10-4-2-1-3-5-10/h1-7,11H,8-9H2,(H,16,17,19)
InChIKeyXZHKKZBYOJMNHN-UHFFFAOYSA-N
MW347.42 g/mol
LogP2.74
Rot. Bonds5

About 2-(3-benzyl-2,4-dioxo-1,3-thiazolidin-5-yl)-N-(1,3-thiazol-2-yl)acetamide

2-(3-benzyl-2,4-dioxo-1,3-thiazolidin-5-yl)-N-(1,3-thiazol-2-yl)acetamide (PubChem CID 3827607) has the molecular formula C15H13N3O3S2 and a molecular weight of 347.42 g/mol. Its IUPAC name is 2-(3-benzyl-2,4-dioxo-1,3-thiazolidin-5-yl)-N-(1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(3-benzyl-2,4-dioxo-1,3-thiazolidin-5-yl)-N-(1,3-thiazol-2-yl)acetamide
PubChem CID3827607
Molecular FormulaC15H13N3O3S2
Molecular Weight347.42 g/mol
Exact Mass347.04
IUPAC Name2-(3-benzyl-2,4-dioxo-1,3-thiazolidin-5-yl)-N-(1,3-thiazol-2-yl)acetamide
SMILESO=C(CC1SC(=O)N(Cc2ccccc2)C1=O)Nc1nccs1
InChIInChI=1S/C15H13N3O3S2/c19-12(17-14-16-6-7-22-14)8-11-13(20)18(15(21)23-11)9-10-4-2-1-3-5-10/h1-7,11H,8-9H2,(H,16,17,19)
InChIKeyXZHKKZBYOJMNHN-UHFFFAOYSA-N
XLogP2.74
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-2-Thiazolylbenzamide
CID 569547
2-Phenyl-N-(1,3-thiazol-2-yl)acetamide
CID 562362
3-Phenyl-N-(1,3-thiazol-2-yl)propanamide
CID 567867
4-phenyl-N-(1,3-thiazol-2-yl)butanamide
CID 3310551
N-Phenethyl-N'-thiazol-2-yl-oxalamide
CID 1870873
3-(4-Benzyl-piperazin-1-yl)-N-thiazol-2-yl-propionamide
CID 652557
2-(1,3-dioxoisoindolin-2-yl)-N-(thiazol-2-yl)acetamide
CID 2787059
5-oxo-1-phenyl-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide
CID 2883662
1-(4-fluorophenyl)-5-oxo-N-(1,3-thiazol-2-yl)-3-pyrrolidinecarboxamide
CID 3154415
1-[2-(4-fluorophenyl)ethyl]-5-oxo-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide
CID 6461926
N1-((S)-2-((S)-3-hydroxypyrrolidin-1-yl)-1-phenylethyl)-N1-methyl-N4-(thiazol-2-yl)succinamide
CID 11304200
1-(4-ethylphenyl)-5-oxo-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide
CID 648907

Frequently Asked Questions

What is the IUPAC name of 2-(3-benzyl-2,4-dioxo-1,3-thiazolidin-5-yl)-N-(1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-(3-benzyl-2,4-dioxo-1,3-thiazolidin-5-yl)-N-(1,3-thiazol-2-yl)acetamide (CID 3827607) is 2-(3-benzyl-2,4-dioxo-1,3-thiazolidin-5-yl)-N-(1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-(3-benzyl-2,4-dioxo-1,3-thiazolidin-5-yl)-N-(1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-(3-benzyl-2,4-dioxo-1,3-thiazolidin-5-yl)-N-(1,3-thiazol-2-yl)acetamide is O=C(CC1SC(=O)N(Cc2ccccc2)C1=O)Nc1nccs1.
What is the InChIKey of 2-(3-benzyl-2,4-dioxo-1,3-thiazolidin-5-yl)-N-(1,3-thiazol-2-yl)acetamide?
The InChIKey is XZHKKZBYOJMNHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O3S2/c19-12(17-14-16-6-7-22-14)8-11-13(20)18(15(21)23-11)9-10-4-2-1-3-5-10/h1-7,11H,8-9H2,(H,16,17,19).
What are the key properties of 2-(3-benzyl-2,4-dioxo-1,3-thiazolidin-5-yl)-N-(1,3-thiazol-2-yl)acetamide?
2-(3-benzyl-2,4-dioxo-1,3-thiazolidin-5-yl)-N-(1,3-thiazol-2-yl)acetamide has a molecular weight of 347.42 g/mol, XLogP of 2.74, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-benzyl-2,4-dioxo-1,3-thiazolidin-5-yl)-N-(1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 3827607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).