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

C4H6N2OS — CID 55287325

IUPAC5-imino-4-methyl-1,3-thiazolidin-2-one
SMILES[H]/N=C1\SC(=O)NC1C
InChIInChI=1S/C4H6N2OS/c1-2-3(5)8-4(7)6-2/h2,5H,1H3,(H,6,7)/b5-3-
InChIKeyZGJZOMPNQSRPLR-HYXAFXHYSA-N
MW130.17 g/mol
LogP0.81
Rot. Bonds

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

5-imino-4-methyl-1,3-thiazolidin-2-one (PubChem CID 55287325) has the molecular formula C4H6N2OS and a molecular weight of 130.17 g/mol. Its IUPAC name is 5-imino-4-methyl-1,3-thiazolidin-2-one.

Molecular Properties

Compound Name5-imino-4-methyl-1,3-thiazolidin-2-one
PubChem CID55287325
Molecular FormulaC4H6N2OS
Molecular Weight130.17 g/mol
Exact Mass130.02
IUPAC Name5-imino-4-methyl-1,3-thiazolidin-2-one
SMILES[H]/N=C1\SC(=O)NC1C
InChIInChI=1S/C4H6N2OS/c1-2-3(5)8-4(7)6-2/h2,5H,1H3,(H,6,7)/b5-3-
InChIKeyZGJZOMPNQSRPLR-HYXAFXHYSA-N
XLogP0.81
TPSA52.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.17
LogP ≤ 50.81
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

5-imino-4-methyl-1,3-thiazolidine-2-thione
CID 55286715
5-imino-4-propyl-1,3-thiazolidin-2-one
CID 121227390
(3S,6S,9R,12S,15S)-3,6,9,12,15-pentamethyl-1,4,7,10,13-pentazacyclopentadecane-2,5,8,11,14-pentone
CID 102149559
2-imino-5-methylcyclopentan-1-one
CID 119097697
4-methylazetidine-2,3-dione
CID 141376893
(5S,6S)-5,6-dimethylpiperazine-2,3-dione
CID 162361681
4-propyl-1,3-thiazolidine-2,5-dione
CID 20513641
1-(cyclopropylmethyl)-4-imino-5,5-dimethylimidazolidin-2-one
CID 138391112
3,3,5-trimethylpyrrolidine-2,4-dione
CID 55299893
(4R)-3,3,4-trimethylazetidin-2-one
CID 59064361
5-imino-4,4-dimethylimidazolidin-2-one
CID 138058722
5-imino-4-methylpyrazol-3-one
CID 57240701

Frequently Asked Questions

What is the IUPAC name of 5-imino-4-methyl-1,3-thiazolidin-2-one?
The IUPAC name of 5-imino-4-methyl-1,3-thiazolidin-2-one (CID 55287325) is 5-imino-4-methyl-1,3-thiazolidin-2-one.
What is the SMILES notation for 5-imino-4-methyl-1,3-thiazolidin-2-one?
The canonical SMILES for 5-imino-4-methyl-1,3-thiazolidin-2-one is [H]/N=C1\SC(=O)NC1C.
What is the InChIKey of 5-imino-4-methyl-1,3-thiazolidin-2-one?
The InChIKey is ZGJZOMPNQSRPLR-HYXAFXHYSA-N. The full InChI is InChI=1S/C4H6N2OS/c1-2-3(5)8-4(7)6-2/h2,5H,1H3,(H,6,7)/b5-3-.
What are the key properties of 5-imino-4-methyl-1,3-thiazolidin-2-one?
5-imino-4-methyl-1,3-thiazolidin-2-one has a molecular weight of 130.17 g/mol, XLogP of 0.81, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-imino-4-methyl-1,3-thiazolidin-2-one is sourced from PubChem (CID 55287325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).