2-(hydroxymethylimino)-5-propan-2-yl-1,3-thiazolidin-4-one

C7H12N2O2S — CID 173496185

IUPAC2-(hydroxymethylimino)-5-propan-2-yl-1,3-thiazolidin-4-one
SMILESCC(C)C1SC(=NCO)NC1=O
InChIInChI=1S/C7H12N2O2S/c1-4(2)5-6(11)9-7(12-5)8-3-10/h4-5,10H,3H2,1-2H3,(H,8,9,11)
InChIKeyMKJHYTPLUYWUTJ-UHFFFAOYSA-N
MW188.25 g/mol
LogP0.18
Rot. Bonds2

About 2-(hydroxymethylimino)-5-propan-2-yl-1,3-thiazolidin-4-one

2-(hydroxymethylimino)-5-propan-2-yl-1,3-thiazolidin-4-one (PubChem CID 173496185) has the molecular formula C7H12N2O2S and a molecular weight of 188.25 g/mol. Its IUPAC name is 2-(hydroxymethylimino)-5-propan-2-yl-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-(hydroxymethylimino)-5-propan-2-yl-1,3-thiazolidin-4-one
PubChem CID173496185
Molecular FormulaC7H12N2O2S
Molecular Weight188.25 g/mol
Exact Mass188.06
IUPAC Name2-(hydroxymethylimino)-5-propan-2-yl-1,3-thiazolidin-4-one
SMILESCC(C)C1SC(=NCO)NC1=O
InChIInChI=1S/C7H12N2O2S/c1-4(2)5-6(11)9-7(12-5)8-3-10/h4-5,10H,3H2,1-2H3,(H,8,9,11)
InChIKeyMKJHYTPLUYWUTJ-UHFFFAOYSA-N
XLogP0.18
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.25
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-propan-2-yl-2-propan-2-ylimino-1,3-thiazolidin-4-one
CID 137292365
diethylphosphane;ethane;2-ethylimino-5-propan-2-yl-1,3-thiazolidin-4-one
CID 143146987
2-tert-butylimino-5-propan-2-yl-1,3-thiazolidin-4-one
CID 137292366
2-[(2S)-3,3-dimethylbutan-2-yl]imino-5-propan-2-yl-1,3-thiazolidin-4-one
CID 135989472
(5R)-2-(2-fluorophenyl)imino-5-propan-2-yl-1,3-thiazolidin-4-one
CID 135566336
2-(4-methoxyphenyl)imino-5-propan-2-yl-1,3-thiazolidin-4-one
CID 137292283
(2Z)-2-[(E)-(2-hydroxyphenyl)methylidenehydrazinylidene]-5-propan-2-yl-1,3-thiazolidin-4-one
CID 135986920
2-[(1S)-1-(2-fluorophenyl)ethyl]imino-5-propan-2-yl-1,3-thiazolidin-4-one
CID 135989898
(2Z,5S)-2-[(Z)-furan-2-ylmethylidenehydrazinylidene]-5-propan-2-yl-1,3-thiazolidin-4-one
CID 135850813
(2Z,5S)-2-[(Z)-anthracen-9-ylmethylidenehydrazinylidene]-5-propan-2-yl-1,3-thiazolidin-4-one
CID 135916192
3-ethyl-1-methyl-6-propan-2-yl-4H-pyrazolo[5,4-b][1,4]thiazin-5-one
CID 105356083
2-[[4-(4-methylsulfonylphenyl)-1-bicyclo[2.2.2]octanyl]imino]-5-propan-2-yl-1,3-thiazolidin-4-one
CID 135989847

Frequently Asked Questions

What is the IUPAC name of 2-(hydroxymethylimino)-5-propan-2-yl-1,3-thiazolidin-4-one?
The IUPAC name of 2-(hydroxymethylimino)-5-propan-2-yl-1,3-thiazolidin-4-one (CID 173496185) is 2-(hydroxymethylimino)-5-propan-2-yl-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-(hydroxymethylimino)-5-propan-2-yl-1,3-thiazolidin-4-one?
The canonical SMILES for 2-(hydroxymethylimino)-5-propan-2-yl-1,3-thiazolidin-4-one is CC(C)C1SC(=NCO)NC1=O.
What is the InChIKey of 2-(hydroxymethylimino)-5-propan-2-yl-1,3-thiazolidin-4-one?
The InChIKey is MKJHYTPLUYWUTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O2S/c1-4(2)5-6(11)9-7(12-5)8-3-10/h4-5,10H,3H2,1-2H3,(H,8,9,11).
What are the key properties of 2-(hydroxymethylimino)-5-propan-2-yl-1,3-thiazolidin-4-one?
2-(hydroxymethylimino)-5-propan-2-yl-1,3-thiazolidin-4-one has a molecular weight of 188.25 g/mol, XLogP of 0.18, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxymethylimino)-5-propan-2-yl-1,3-thiazolidin-4-one is sourced from PubChem (CID 173496185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).