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

C8H8N4O3S — CID 110703373

IUPAC2-(3,5-dioxopyrazolidin-4-yl)-N-(1,3-thiazol-2-yl)acetamide
SMILESO=C(CC1C(=O)NNC1=O)Nc1nccs1
InChIInChI=1S/C8H8N4O3S/c13-5(10-8-9-1-2-16-8)3-4-6(14)11-12-7(4)15/h1-2,4H,3H2,(H,11,14)(H,12,15)(H,9,10,13)
InChIKeyMLKVEATVLCIMBS-UHFFFAOYSA-N
MW240.24 g/mol
LogP-0.75
Rot. Bonds3

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

2-(3,5-dioxopyrazolidin-4-yl)-N-(1,3-thiazol-2-yl)acetamide (PubChem CID 110703373) has the molecular formula C8H8N4O3S and a molecular weight of 240.24 g/mol. Its IUPAC name is 2-(3,5-dioxopyrazolidin-4-yl)-N-(1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(3,5-dioxopyrazolidin-4-yl)-N-(1,3-thiazol-2-yl)acetamide
PubChem CID110703373
Molecular FormulaC8H8N4O3S
Molecular Weight240.24 g/mol
Exact Mass240.03
IUPAC Name2-(3,5-dioxopyrazolidin-4-yl)-N-(1,3-thiazol-2-yl)acetamide
SMILESO=C(CC1C(=O)NNC1=O)Nc1nccs1
InChIInChI=1S/C8H8N4O3S/c13-5(10-8-9-1-2-16-8)3-4-6(14)11-12-7(4)15/h1-2,4H,3H2,(H,11,14)(H,12,15)(H,9,10,13)
InChIKeyMLKVEATVLCIMBS-UHFFFAOYSA-N
XLogP-0.75
TPSA100.19 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.24
LogP ≤ 5-0.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'keto_keto_beta_B(12)', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

2-(2,4-dioxo-1,3-thiazolidin-5-yl)-N-(1,3-thiazol-2-yl)acetamide
CID 3298328
2-(3-oxo-4H-1,4-benzoxazin-2-yl)-N-(1,3-thiazol-2-yl)acetamide
CID 75769911
N,N'-bis(1,3-thiazol-2-yl)decanediamide
CID 17080102
2-cyclohexylsulfanyl-N-(1,3-thiazol-2-yl)acetamide
CID 2434094
2-(1-benzyl-2,5-dioxoimidazolidin-4-yl)-N-(1,3-thiazol-2-yl)acetamide
CID 110210445
disodium;2-phosphonato-N-(1,3-thiazol-2-yl)acetamide
CID 53319122
2-[2,4-dioxo-5-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-1,3-thiazolidin-3-yl]acetic acid
CID 3499398
N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]cyclopropanecarboxamide
CID 110687201
3-piperidin-4-yl-N-(1,3-thiazol-2-yl)propanamide
CID 62212222
2-[(2R)-6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 40953171
3-oxo-N-(1,3-thiazol-2-yl)pentanamide
CID 59660018
2-(4-bromophenyl)-N-(1,3-thiazol-2-yl)acetamide
CID 669868

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dioxopyrazolidin-4-yl)-N-(1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-(3,5-dioxopyrazolidin-4-yl)-N-(1,3-thiazol-2-yl)acetamide (CID 110703373) is 2-(3,5-dioxopyrazolidin-4-yl)-N-(1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-(3,5-dioxopyrazolidin-4-yl)-N-(1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-(3,5-dioxopyrazolidin-4-yl)-N-(1,3-thiazol-2-yl)acetamide is O=C(CC1C(=O)NNC1=O)Nc1nccs1.
What is the InChIKey of 2-(3,5-dioxopyrazolidin-4-yl)-N-(1,3-thiazol-2-yl)acetamide?
The InChIKey is MLKVEATVLCIMBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N4O3S/c13-5(10-8-9-1-2-16-8)3-4-6(14)11-12-7(4)15/h1-2,4H,3H2,(H,11,14)(H,12,15)(H,9,10,13).
What are the key properties of 2-(3,5-dioxopyrazolidin-4-yl)-N-(1,3-thiazol-2-yl)acetamide?
2-(3,5-dioxopyrazolidin-4-yl)-N-(1,3-thiazol-2-yl)acetamide has a molecular weight of 240.24 g/mol, XLogP of -0.75, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dioxopyrazolidin-4-yl)-N-(1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 110703373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).