2-pentyl-1,3-thiazolidin-4-one

C8H15NOS — CID 12866703

IUPAC2-pentyl-1,3-thiazolidin-4-one
SMILESCCCCCC1NC(=O)CS1
InChIInChI=1S/C8H15NOS/c1-2-3-4-5-8-9-7(10)6-11-8/h8H,2-6H2,1H3,(H,9,10)
InChIKeyMQVSAMVREZMQBK-UHFFFAOYSA-N
MW173.28 g/mol
LogP1.76
Rot. Bonds4

About 2-pentyl-1,3-thiazolidin-4-one

2-pentyl-1,3-thiazolidin-4-one (PubChem CID 12866703) has the molecular formula C8H15NOS and a molecular weight of 173.28 g/mol. Its IUPAC name is 2-pentyl-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-pentyl-1,3-thiazolidin-4-one
PubChem CID12866703
Molecular FormulaC8H15NOS
Molecular Weight173.28 g/mol
Exact Mass173.09
IUPAC Name2-pentyl-1,3-thiazolidin-4-one
SMILESCCCCCC1NC(=O)CS1
InChIInChI=1S/C8H15NOS/c1-2-3-4-5-8-9-7(10)6-11-8/h8H,2-6H2,1H3,(H,9,10)
InChIKeyMQVSAMVREZMQBK-UHFFFAOYSA-N
XLogP1.76
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.28
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(5S)-5-(propylsulfanylmethyl)pyrrolidin-2-one
CID 56672999
(5S)-5-(hexylsulfanylmethyl)pyrrolidin-2-one
CID 56666095
N-(thiolan-2-yl)acetamide
CID 44558384
N-thenylacetamide
CID 80403605
2-butylsulfanyl-N-pentylacetamide
CID 12660922
2-fluoro-2-methyl-N-(thiolan-2-ylmethyl)propanamide
CID 130165216
N-hexyl-3-methylsulfanylpropanamide
CID 11658492
2-(2-Methylpropyl)-1,3-thiazolidin-4-one
CID 12866704
2-Ethyl-1,3-thiazolidin-4-one
CID 14405097
2-Propyl-1,3-thiazolidin-4-one
CID 14405098
2-Tert-butyl-1,3-thiazolidin-4-one
CID 19813451
5-Isopropylthio-pyrrolidin-2-one
CID 19868700

Frequently Asked Questions

What is the IUPAC name of 2-pentyl-1,3-thiazolidin-4-one?
The IUPAC name of 2-pentyl-1,3-thiazolidin-4-one (CID 12866703) is 2-pentyl-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-pentyl-1,3-thiazolidin-4-one?
The canonical SMILES for 2-pentyl-1,3-thiazolidin-4-one is CCCCCC1NC(=O)CS1.
What is the InChIKey of 2-pentyl-1,3-thiazolidin-4-one?
The InChIKey is MQVSAMVREZMQBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NOS/c1-2-3-4-5-8-9-7(10)6-11-8/h8H,2-6H2,1H3,(H,9,10).
What are the key properties of 2-pentyl-1,3-thiazolidin-4-one?
2-pentyl-1,3-thiazolidin-4-one has a molecular weight of 173.28 g/mol, XLogP of 1.76, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pentyl-1,3-thiazolidin-4-one is sourced from PubChem (CID 12866703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).