2-butyl-1,2-thiazolidin-3-one

C7H13NOS — CID 23432526

IUPAC2-butyl-1,2-thiazolidin-3-one
SMILESCCCCN1SCCC1=O
InChIInChI=1S/C7H13NOS/c1-2-3-5-8-7(9)4-6-10-8/h2-6H2,1H3
InChIKeyKBQVEKJYNIMIAT-UHFFFAOYSA-N
MW159.25 g/mol
LogP1.67
Rot. Bonds3

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

2-butyl-1,2-thiazolidin-3-one (PubChem CID 23432526) has the molecular formula C7H13NOS and a molecular weight of 159.25 g/mol. Its IUPAC name is 2-butyl-1,2-thiazolidin-3-one.

Molecular Properties

Compound Name2-butyl-1,2-thiazolidin-3-one
PubChem CID23432526
Molecular FormulaC7H13NOS
Molecular Weight159.25 g/mol
Exact Mass159.07
IUPAC Name2-butyl-1,2-thiazolidin-3-one
SMILESCCCCN1SCCC1=O
InChIInChI=1S/C7H13NOS/c1-2-3-5-8-7(9)4-6-10-8/h2-6H2,1H3
InChIKeyKBQVEKJYNIMIAT-UHFFFAOYSA-N
XLogP1.67
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.25
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-butylthiazinan-3-one
CID 20625969
1,4-dibutylpiperazine-2,5-dione
CID 19902955
butane;1-butylpiperidin-4-one
CID 177152756
1-butylpyrrolidin-3-one
CID 23052762
4-butyl-1-methylpiperazin-2-one
CID 117005150
1-butylpiperidine-2,4-dione
CID 79515410
1-butyl-5,5-dimethylpyrrolidin-2-one
CID 14887124
5-chloro-2-hexyl-1,2-thiazolidin-3-one
CID 172817803
3-butyl-2-(4-chlorophenyl)-1,3-thiazinan-4-one
CID 3749093
4-butylmorpholine-3,5-dione
CID 13156567
1,3-dibutylimidazolidin-2-one
CID 20887
2-butyldiazinan-3-one
CID 105430564

Frequently Asked Questions

What is the IUPAC name of 2-butyl-1,2-thiazolidin-3-one?
The IUPAC name of 2-butyl-1,2-thiazolidin-3-one (CID 23432526) is 2-butyl-1,2-thiazolidin-3-one.
What is the SMILES notation for 2-butyl-1,2-thiazolidin-3-one?
The canonical SMILES for 2-butyl-1,2-thiazolidin-3-one is CCCCN1SCCC1=O.
What is the InChIKey of 2-butyl-1,2-thiazolidin-3-one?
The InChIKey is KBQVEKJYNIMIAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NOS/c1-2-3-5-8-7(9)4-6-10-8/h2-6H2,1H3.
What are the key properties of 2-butyl-1,2-thiazolidin-3-one?
2-butyl-1,2-thiazolidin-3-one has a molecular weight of 159.25 g/mol, XLogP of 1.67, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-1,2-thiazolidin-3-one is sourced from PubChem (CID 23432526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).