2-(2,4-dioxo-3-propyl-1,3-thiazolidin-5-yl)-N-phenylacetamide

C14H16N2O3S — CID 650257

IUPAC2-(2,4-dioxo-3-propyl-1,3-thiazolidin-5-yl)-N-phenylacetamide
SMILESCCCN1C(=O)SC(CC(=O)Nc2ccccc2)C1=O
InChIInChI=1S/C14H16N2O3S/c1-2-8-16-13(18)11(20-14(16)19)9-12(17)15-10-6-4-3-5-7-10/h3-7,11H,2,8-9H2,1H3,(H,15,17)
InChIKeyPCSSHEWUSTYAGW-UHFFFAOYSA-N
MW292.36 g/mol
LogP2.49
Rot. Bonds5

About 2-(2,4-dioxo-3-propyl-1,3-thiazolidin-5-yl)-N-phenylacetamide

2-(2,4-dioxo-3-propyl-1,3-thiazolidin-5-yl)-N-phenylacetamide (PubChem CID 650257) has the molecular formula C14H16N2O3S and a molecular weight of 292.36 g/mol. Its IUPAC name is 2-(2,4-dioxo-3-propyl-1,3-thiazolidin-5-yl)-N-phenylacetamide.

Molecular Properties

Compound Name2-(2,4-dioxo-3-propyl-1,3-thiazolidin-5-yl)-N-phenylacetamide
PubChem CID650257
Molecular FormulaC14H16N2O3S
Molecular Weight292.36 g/mol
Exact Mass292.09
IUPAC Name2-(2,4-dioxo-3-propyl-1,3-thiazolidin-5-yl)-N-phenylacetamide
SMILESCCCN1C(=O)SC(CC(=O)Nc2ccccc2)C1=O
InChIInChI=1S/C14H16N2O3S/c1-2-8-16-13(18)11(20-14(16)19)9-12(17)15-10-6-4-3-5-7-10/h3-7,11H,2,8-9H2,1H3,(H,15,17)
InChIKeyPCSSHEWUSTYAGW-UHFFFAOYSA-N
XLogP2.49
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Carbamothioic acid, S-[2-oxo-2-(phenylamino)ethyl] ester
CID 224656
2-(2,4-dioxo-3-phenyl-1,3-thiazolidin-5-yl)-N-(2-methylphenyl)acetamide
CID 3109980
N-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 790557
6-(2-mercaptoacetamido)-N-phenylhexanamide
CID 11437457
N-[2-(tert-butylamino)-2-oxoethyl]-N-(2-fluorophenyl)-5-oxothiolane-3-carboxamide
CID 3227527
N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 571916
2-(2-anilino-2-oxoethyl)sulfanyl-N-cyclopentylacetamide
CID 585653
2-(3-oxo-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazol-2-yl)-N-phenylacetamide
CID 661432
S-(3-anilino-3-oxopropyl) ethanethioate
CID 891011
[(2S,4S)-4-Anilinopyrrolidin-2-yl](1,3-thiazolidin-3-yl)methanone
CID 44422475
2-[(2E)-2-(cyclohexylimino)-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide
CID 135403874
3-[(2-Aminoethyl)thio]-1-(4-fluorophenyl)-2,5-pyrrolidinedione hydrochloride
CID 17369996

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dioxo-3-propyl-1,3-thiazolidin-5-yl)-N-phenylacetamide?
The IUPAC name of 2-(2,4-dioxo-3-propyl-1,3-thiazolidin-5-yl)-N-phenylacetamide (CID 650257) is 2-(2,4-dioxo-3-propyl-1,3-thiazolidin-5-yl)-N-phenylacetamide.
What is the SMILES notation for 2-(2,4-dioxo-3-propyl-1,3-thiazolidin-5-yl)-N-phenylacetamide?
The canonical SMILES for 2-(2,4-dioxo-3-propyl-1,3-thiazolidin-5-yl)-N-phenylacetamide is CCCN1C(=O)SC(CC(=O)Nc2ccccc2)C1=O.
What is the InChIKey of 2-(2,4-dioxo-3-propyl-1,3-thiazolidin-5-yl)-N-phenylacetamide?
The InChIKey is PCSSHEWUSTYAGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3S/c1-2-8-16-13(18)11(20-14(16)19)9-12(17)15-10-6-4-3-5-7-10/h3-7,11H,2,8-9H2,1H3,(H,15,17).
What are the key properties of 2-(2,4-dioxo-3-propyl-1,3-thiazolidin-5-yl)-N-phenylacetamide?
2-(2,4-dioxo-3-propyl-1,3-thiazolidin-5-yl)-N-phenylacetamide has a molecular weight of 292.36 g/mol, XLogP of 2.49, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dioxo-3-propyl-1,3-thiazolidin-5-yl)-N-phenylacetamide is sourced from PubChem (CID 650257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).