2-[(2S)-3,3-dimethylbutan-2-yl]imino-5-propan-2-yl-1,3-thiazolidin-4-one

C12H22N2OS — CID 135989472

IUPAC2-[(2S)-3,3-dimethylbutan-2-yl]imino-5-propan-2-yl-1,3-thiazolidin-4-one
SMILESCC(C)C1S/C(=N\[C@@H](C)C(C)(C)C)NC1=O
InChIInChI=1S/C12H22N2OS/c1-7(2)9-10(15)14-11(16-9)13-8(3)12(4,5)6/h7-9H,1-6H3,(H,13,14,15)/t8-,9?/m0/s1
InChIKeyRJQDZJYTXDFKMY-IENPIDJESA-N
MW242.39 g/mol
LogP2.66
Rot. Bonds2

About 2-[(2S)-3,3-dimethylbutan-2-yl]imino-5-propan-2-yl-1,3-thiazolidin-4-one

2-[(2S)-3,3-dimethylbutan-2-yl]imino-5-propan-2-yl-1,3-thiazolidin-4-one (PubChem CID 135989472) has the molecular formula C12H22N2OS and a molecular weight of 242.39 g/mol. Its IUPAC name is 2-[(2S)-3,3-dimethylbutan-2-yl]imino-5-propan-2-yl-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-[(2S)-3,3-dimethylbutan-2-yl]imino-5-propan-2-yl-1,3-thiazolidin-4-one
PubChem CID135989472
Molecular FormulaC12H22N2OS
Molecular Weight242.39 g/mol
Exact Mass242.15
IUPAC Name2-[(2S)-3,3-dimethylbutan-2-yl]imino-5-propan-2-yl-1,3-thiazolidin-4-one
SMILESCC(C)C1S/C(=N\[C@@H](C)C(C)(C)C)NC1=O
InChIInChI=1S/C12H22N2OS/c1-7(2)9-10(15)14-11(16-9)13-8(3)12(4,5)6/h7-9H,1-6H3,(H,13,14,15)/t8-,9?/m0/s1
InChIKeyRJQDZJYTXDFKMY-IENPIDJESA-N
XLogP2.66
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.39
LogP ≤ 52.66
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

5-propan-2-yl-2-propan-2-ylimino-1,3-thiazolidin-4-one
CID 137292365
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
(2Z,5S)-2-[(Z)-furan-2-ylmethylidenehydrazinylidene]-5-propan-2-yl-1,3-thiazolidin-4-one
CID 135850813
(2Z)-2-[(E)-(2-hydroxyphenyl)methylidenehydrazinylidene]-5-propan-2-yl-1,3-thiazolidin-4-one
CID 135986920
2-[[4-(4-methylsulfonylphenyl)-1-bicyclo[2.2.2]octanyl]imino]-5-propan-2-yl-1,3-thiazolidin-4-one
CID 135989847
(2Z,5S)-2-[(Z)-anthracen-9-ylmethylidenehydrazinylidene]-5-propan-2-yl-1,3-thiazolidin-4-one
CID 135916192
(5S)-5-[1-[(5S)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl]ethyl]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 40559857

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-3,3-dimethylbutan-2-yl]imino-5-propan-2-yl-1,3-thiazolidin-4-one?
The IUPAC name of 2-[(2S)-3,3-dimethylbutan-2-yl]imino-5-propan-2-yl-1,3-thiazolidin-4-one (CID 135989472) is 2-[(2S)-3,3-dimethylbutan-2-yl]imino-5-propan-2-yl-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-[(2S)-3,3-dimethylbutan-2-yl]imino-5-propan-2-yl-1,3-thiazolidin-4-one?
The canonical SMILES for 2-[(2S)-3,3-dimethylbutan-2-yl]imino-5-propan-2-yl-1,3-thiazolidin-4-one is CC(C)C1S/C(=N\[C@@H](C)C(C)(C)C)NC1=O.
What is the InChIKey of 2-[(2S)-3,3-dimethylbutan-2-yl]imino-5-propan-2-yl-1,3-thiazolidin-4-one?
The InChIKey is RJQDZJYTXDFKMY-IENPIDJESA-N. The full InChI is InChI=1S/C12H22N2OS/c1-7(2)9-10(15)14-11(16-9)13-8(3)12(4,5)6/h7-9H,1-6H3,(H,13,14,15)/t8-,9?/m0/s1.
What are the key properties of 2-[(2S)-3,3-dimethylbutan-2-yl]imino-5-propan-2-yl-1,3-thiazolidin-4-one?
2-[(2S)-3,3-dimethylbutan-2-yl]imino-5-propan-2-yl-1,3-thiazolidin-4-one has a molecular weight of 242.39 g/mol, XLogP of 2.66, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-3,3-dimethylbutan-2-yl]imino-5-propan-2-yl-1,3-thiazolidin-4-one is sourced from PubChem (CID 135989472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).