5-propan-2-yl-2-propan-2-ylimino-1,3-thiazolidin-4-one

C9H16N2OS — CID 137292365

IUPAC5-propan-2-yl-2-propan-2-ylimino-1,3-thiazolidin-4-one
SMILESCC(C)/N=C1/NC(=O)C(C(C)C)S1
InChIInChI=1S/C9H16N2OS/c1-5(2)7-8(12)11-9(13-7)10-6(3)4/h5-7H,1-4H3,(H,10,11,12)
InChIKeyKSQRIWFSEPQCJR-UHFFFAOYSA-N
MW200.31 g/mol
LogP1.64
Rot. Bonds2

About 5-propan-2-yl-2-propan-2-ylimino-1,3-thiazolidin-4-one

5-propan-2-yl-2-propan-2-ylimino-1,3-thiazolidin-4-one (PubChem CID 137292365) has the molecular formula C9H16N2OS and a molecular weight of 200.31 g/mol. Its IUPAC name is 5-propan-2-yl-2-propan-2-ylimino-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name5-propan-2-yl-2-propan-2-ylimino-1,3-thiazolidin-4-one
PubChem CID137292365
Molecular FormulaC9H16N2OS
Molecular Weight200.31 g/mol
Exact Mass200.10
IUPAC Name5-propan-2-yl-2-propan-2-ylimino-1,3-thiazolidin-4-one
SMILESCC(C)/N=C1/NC(=O)C(C(C)C)S1
InChIInChI=1S/C9H16N2OS/c1-5(2)7-8(12)11-9(13-7)10-6(3)4/h5-7H,1-4H3,(H,10,11,12)
InChIKeyKSQRIWFSEPQCJR-UHFFFAOYSA-N
XLogP1.64
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.31
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(2S)-3,3-dimethylbutan-2-yl]imino-5-propan-2-yl-1,3-thiazolidin-4-one
CID 135989472
2-tert-butylimino-5-propan-2-yl-1,3-thiazolidin-4-one
CID 137292366
2-(hydroxymethylimino)-5-propan-2-yl-1,3-thiazolidin-4-one
CID 173496185
2-[(1S)-1-(2-fluorophenyl)ethyl]imino-5-propan-2-yl-1,3-thiazolidin-4-one
CID 135989898
diethylphosphane;ethane;2-ethylimino-5-propan-2-yl-1,3-thiazolidin-4-one
CID 143146987
(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
5-hexyl-2-propan-2-ylimino-1,3-thiazolidin-4-one
CID 137292322
(2Z)-2-[(E)-(2-hydroxyphenyl)methylidenehydrazinylidene]-5-propan-2-yl-1,3-thiazolidin-4-one
CID 135986920
(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
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 5-propan-2-yl-2-propan-2-ylimino-1,3-thiazolidin-4-one?
The IUPAC name of 5-propan-2-yl-2-propan-2-ylimino-1,3-thiazolidin-4-one (CID 137292365) is 5-propan-2-yl-2-propan-2-ylimino-1,3-thiazolidin-4-one.
What is the SMILES notation for 5-propan-2-yl-2-propan-2-ylimino-1,3-thiazolidin-4-one?
The canonical SMILES for 5-propan-2-yl-2-propan-2-ylimino-1,3-thiazolidin-4-one is CC(C)/N=C1/NC(=O)C(C(C)C)S1.
What is the InChIKey of 5-propan-2-yl-2-propan-2-ylimino-1,3-thiazolidin-4-one?
The InChIKey is KSQRIWFSEPQCJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2OS/c1-5(2)7-8(12)11-9(13-7)10-6(3)4/h5-7H,1-4H3,(H,10,11,12).
What are the key properties of 5-propan-2-yl-2-propan-2-ylimino-1,3-thiazolidin-4-one?
5-propan-2-yl-2-propan-2-ylimino-1,3-thiazolidin-4-one has a molecular weight of 200.31 g/mol, XLogP of 1.64, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propan-2-yl-2-propan-2-ylimino-1,3-thiazolidin-4-one is sourced from PubChem (CID 137292365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).