3-pentanoyl-1,3-thiazolidin-2-one

C8H13NO2S — CID 59816498

IUPAC3-pentanoyl-1,3-thiazolidin-2-one
SMILESCCCCC(=O)N1CCSC1=O
InChIInChI=1S/C8H13NO2S/c1-2-3-4-7(10)9-5-6-12-8(9)11/h2-6H2,1H3
InChIKeyFTJRDQNKDOESJZ-UHFFFAOYSA-N
MW187.26 g/mol
LogP1.87
Rot. Bonds3

About 3-pentanoyl-1,3-thiazolidin-2-one

3-pentanoyl-1,3-thiazolidin-2-one (PubChem CID 59816498) has the molecular formula C8H13NO2S and a molecular weight of 187.26 g/mol. Its IUPAC name is 3-pentanoyl-1,3-thiazolidin-2-one.

Molecular Properties

Compound Name3-pentanoyl-1,3-thiazolidin-2-one
PubChem CID59816498
Molecular FormulaC8H13NO2S
Molecular Weight187.26 g/mol
Exact Mass187.07
IUPAC Name3-pentanoyl-1,3-thiazolidin-2-one
SMILESCCCCC(=O)N1CCSC1=O
InChIInChI=1S/C8H13NO2S/c1-2-3-4-7(10)9-5-6-12-8(9)11/h2-6H2,1H3
InChIKeyFTJRDQNKDOESJZ-UHFFFAOYSA-N
XLogP1.87
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.26
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[(2R)-2-fluoropentanoyl]-1,3-thiazolidin-2-one
CID 134940214
1-(2-Sulfanylidene-1,3-thiazolidin-3-yl)hexan-1-one
CID 12675044
N-succinyl-S-acetylcysteamine
CID 129713559
2-Methyl-3-pentyl-1,3-thiazolidin-4-one
CID 11586417
S-[(3R)-1-acetyl-5-oxopyrrolidin-3-yl] ethanethioate
CID 11074432
3-Butyl-1,3-thiazolidine-2,4-dione
CID 12220070
3-Pentyl-1,3-thiazolidine-2,4-dione
CID 12220071
3-Hexyl-1,3-thiazolidine-2,4-dione
CID 12220072
3-Heptyl-1,3-thiazolidine-2,4-dione
CID 12220074
1-(3-Methylsulfanylpropyl)pyrrolidine-2,5-dione
CID 12397954
3-Propyl-1,3-thiazolidine-2,4-dione
CID 12572929
5-(Propyl)-3-(4-bromobutyl)-2,4-thiazolidinedione
CID 13059826

Frequently Asked Questions

What is the IUPAC name of 3-pentanoyl-1,3-thiazolidin-2-one?
The IUPAC name of 3-pentanoyl-1,3-thiazolidin-2-one (CID 59816498) is 3-pentanoyl-1,3-thiazolidin-2-one.
What is the SMILES notation for 3-pentanoyl-1,3-thiazolidin-2-one?
The canonical SMILES for 3-pentanoyl-1,3-thiazolidin-2-one is CCCCC(=O)N1CCSC1=O.
What is the InChIKey of 3-pentanoyl-1,3-thiazolidin-2-one?
The InChIKey is FTJRDQNKDOESJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO2S/c1-2-3-4-7(10)9-5-6-12-8(9)11/h2-6H2,1H3.
What are the key properties of 3-pentanoyl-1,3-thiazolidin-2-one?
3-pentanoyl-1,3-thiazolidin-2-one has a molecular weight of 187.26 g/mol, XLogP of 1.87, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pentanoyl-1,3-thiazolidin-2-one is sourced from PubChem (CID 59816498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).