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

C8H7N3O3S2 — CID 3298328

IUPAC2-(2,4-dioxo-1,3-thiazolidin-5-yl)-N-(1,3-thiazol-2-yl)acetamide
SMILESO=C(CC1SC(=O)NC1=O)Nc1nccs1
InChIInChI=1S/C8H7N3O3S2/c12-5(10-7-9-1-2-15-7)3-4-6(13)11-8(14)16-4/h1-2,4H,3H2,(H,9,10,12)(H,11,13,14)
InChIKeyYFRKZKMMGHLXMI-UHFFFAOYSA-N
MW257.30 g/mol
LogP0.82
Rot. Bonds3

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

2-(2,4-dioxo-1,3-thiazolidin-5-yl)-N-(1,3-thiazol-2-yl)acetamide (PubChem CID 3298328) has the molecular formula C8H7N3O3S2 and a molecular weight of 257.30 g/mol. Its IUPAC name is 2-(2,4-dioxo-1,3-thiazolidin-5-yl)-N-(1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(2,4-dioxo-1,3-thiazolidin-5-yl)-N-(1,3-thiazol-2-yl)acetamide
PubChem CID3298328
Molecular FormulaC8H7N3O3S2
Molecular Weight257.30 g/mol
Exact Mass256.99
IUPAC Name2-(2,4-dioxo-1,3-thiazolidin-5-yl)-N-(1,3-thiazol-2-yl)acetamide
SMILESO=C(CC1SC(=O)NC1=O)Nc1nccs1
InChIInChI=1S/C8H7N3O3S2/c12-5(10-7-9-1-2-15-7)3-4-6(13)11-8(14)16-4/h1-2,4H,3H2,(H,9,10,12)(H,11,13,14)
InChIKeyYFRKZKMMGHLXMI-UHFFFAOYSA-N
XLogP0.82
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.30
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[(2R)-6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 40953171
2-(3,5-dioxopyrazolidin-4-yl)-N-(1,3-thiazol-2-yl)acetamide
CID 110703373
2-[(5R)-2,4-dioxo-1,3-thiazolidin-5-yl]-N-[4-[[2-[(5R)-2,4-dioxo-1,3-thiazolidin-5-yl]acetyl]amino]phenyl]acetamide
CID 2135569
2-[2,4-dioxo-5-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-1,3-thiazolidin-3-yl]acetic acid
CID 3499398
2-(3-oxo-4H-1,4-benzoxazin-2-yl)-N-(1,3-thiazol-2-yl)acetamide
CID 75769911
2-[(5S)-2,4-dioxo-1,3-thiazolidin-5-yl]-N-(2-hydroxyphenyl)acetamide
CID 1213000
N-[5-[(3,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2-[(5R)-2,4-dioxo-1,3-thiazolidin-5-yl]acetamide
CID 124938588
N,N'-bis(1,3-thiazol-2-yl)decanediamide
CID 17080102
4-[[2-[(5R)-2,4-dioxo-1,3-thiazolidin-5-yl]acetyl]amino]benzoate
CID 6982475
4-amino-N-(1,3-thiazol-2-yl)butanamide;hydrochloride
CID 168719847
2-[(5S)-2,4-dioxo-1,3-thiazolidin-5-yl]-N-(3-hydroxyphenyl)acetamide
CID 7066089
cis-(1R,2S)-3-methylidene-1-N,2-N-bis(1,3-thiazol-2-yl)cyclopropane-1,2-dicarboxamide
CID 2313436

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dioxo-1,3-thiazolidin-5-yl)-N-(1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-(2,4-dioxo-1,3-thiazolidin-5-yl)-N-(1,3-thiazol-2-yl)acetamide (CID 3298328) is 2-(2,4-dioxo-1,3-thiazolidin-5-yl)-N-(1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-(2,4-dioxo-1,3-thiazolidin-5-yl)-N-(1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-(2,4-dioxo-1,3-thiazolidin-5-yl)-N-(1,3-thiazol-2-yl)acetamide is O=C(CC1SC(=O)NC1=O)Nc1nccs1.
What is the InChIKey of 2-(2,4-dioxo-1,3-thiazolidin-5-yl)-N-(1,3-thiazol-2-yl)acetamide?
The InChIKey is YFRKZKMMGHLXMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N3O3S2/c12-5(10-7-9-1-2-15-7)3-4-6(13)11-8(14)16-4/h1-2,4H,3H2,(H,9,10,12)(H,11,13,14).
What are the key properties of 2-(2,4-dioxo-1,3-thiazolidin-5-yl)-N-(1,3-thiazol-2-yl)acetamide?
2-(2,4-dioxo-1,3-thiazolidin-5-yl)-N-(1,3-thiazol-2-yl)acetamide has a molecular weight of 257.30 g/mol, XLogP of 0.82, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dioxo-1,3-thiazolidin-5-yl)-N-(1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 3298328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).