5-imino-4-propyl-1,3-thiazolidin-2-one

C6H10N2OS — CID 121227390

IUPAC5-imino-4-propyl-1,3-thiazolidin-2-one
SMILES[H]/N=C1\SC(=O)NC1CCC
InChIInChI=1S/C6H10N2OS/c1-2-3-4-5(7)10-6(9)8-4/h4,7H,2-3H2,1H3,(H,8,9)/b7-5-
InChIKeyVJSURHMPIXMIEF-ALCCZGGFSA-N
MW158.23 g/mol
LogP1.59
Rot. Bonds2

About 5-imino-4-propyl-1,3-thiazolidin-2-one

5-imino-4-propyl-1,3-thiazolidin-2-one (PubChem CID 121227390) has the molecular formula C6H10N2OS and a molecular weight of 158.23 g/mol. Its IUPAC name is 5-imino-4-propyl-1,3-thiazolidin-2-one.

Molecular Properties

Compound Name5-imino-4-propyl-1,3-thiazolidin-2-one
PubChem CID121227390
Molecular FormulaC6H10N2OS
Molecular Weight158.23 g/mol
Exact Mass158.05
IUPAC Name5-imino-4-propyl-1,3-thiazolidin-2-one
SMILES[H]/N=C1\SC(=O)NC1CCC
InChIInChI=1S/C6H10N2OS/c1-2-3-4-5(7)10-6(9)8-4/h4,7H,2-3H2,1H3,(H,8,9)/b7-5-
InChIKeyVJSURHMPIXMIEF-ALCCZGGFSA-N
XLogP1.59
TPSA52.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.23
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'thioester', 'substructure': 'N/A'}

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Related Compounds

4-propyl-1,3-thiazolidine-2,5-dione
CID 20513641
5-imino-4-methyl-1,3-thiazolidin-2-one
CID 55287325
5-propylimidazolidine-2,4-dione
CID 567619
2-methylidene-3-propylaziridine
CID 149135851
(3S,6S)-6-methyl-3-propylpiperazin-2-one
CID 91195931
(4S)-4-propylazetidin-2-one
CID 18603540
4,5-dipropylcyclopentane-1,2,3-trione
CID 89372645
3-(1-adamantyl)-5-propylimidazolidine-2,4-dione
CID 43630187
4-[(4-methoxyphenyl)methyl]-1,3-thiazolidine-2,5-dione
CID 68809970
3-(2-chloroethyl)-5-propylimidazolidine-2,4-dione
CID 43135563
(4S)-4-propylazetidin-2-one;hydrochloride
CID 66909952
(3R,4S)-3,4-dipropylazetidin-2-one
CID 102456687

Frequently Asked Questions

What is the IUPAC name of 5-imino-4-propyl-1,3-thiazolidin-2-one?
The IUPAC name of 5-imino-4-propyl-1,3-thiazolidin-2-one (CID 121227390) is 5-imino-4-propyl-1,3-thiazolidin-2-one.
What is the SMILES notation for 5-imino-4-propyl-1,3-thiazolidin-2-one?
The canonical SMILES for 5-imino-4-propyl-1,3-thiazolidin-2-one is [H]/N=C1\SC(=O)NC1CCC.
What is the InChIKey of 5-imino-4-propyl-1,3-thiazolidin-2-one?
The InChIKey is VJSURHMPIXMIEF-ALCCZGGFSA-N. The full InChI is InChI=1S/C6H10N2OS/c1-2-3-4-5(7)10-6(9)8-4/h4,7H,2-3H2,1H3,(H,8,9)/b7-5-.
What are the key properties of 5-imino-4-propyl-1,3-thiazolidin-2-one?
5-imino-4-propyl-1,3-thiazolidin-2-one has a molecular weight of 158.23 g/mol, XLogP of 1.59, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-imino-4-propyl-1,3-thiazolidin-2-one is sourced from PubChem (CID 121227390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).