2-tert-butylimino-5-propan-2-yl-1,3-thiazolidin-4-one

C10H18N2OS — CID 137292366

IUPAC2-tert-butylimino-5-propan-2-yl-1,3-thiazolidin-4-one
SMILESCC(C)C1S/C(=N\C(C)(C)C)NC1=O
InChIInChI=1S/C10H18N2OS/c1-6(2)7-8(13)11-9(14-7)12-10(3,4)5/h6-7H,1-5H3,(H,11,12,13)
InChIKeyBFPXQBOFERTWIG-UHFFFAOYSA-N
MW214.33 g/mol
LogP2.03
Rot. Bonds1

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

2-tert-butylimino-5-propan-2-yl-1,3-thiazolidin-4-one (PubChem CID 137292366) has the molecular formula C10H18N2OS and a molecular weight of 214.33 g/mol. Its IUPAC name is 2-tert-butylimino-5-propan-2-yl-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-tert-butylimino-5-propan-2-yl-1,3-thiazolidin-4-one
PubChem CID137292366
Molecular FormulaC10H18N2OS
Molecular Weight214.33 g/mol
Exact Mass214.11
IUPAC Name2-tert-butylimino-5-propan-2-yl-1,3-thiazolidin-4-one
SMILESCC(C)C1S/C(=N\C(C)(C)C)NC1=O
InChIInChI=1S/C10H18N2OS/c1-6(2)7-8(13)11-9(14-7)12-10(3,4)5/h6-7H,1-5H3,(H,11,12,13)
InChIKeyBFPXQBOFERTWIG-UHFFFAOYSA-N
XLogP2.03
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.33
LogP ≤ 52.03
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-[(2R)-3,3-dimethylbutan-2-yl]imino-5-propan-2-yl-1,3-thiazolidin-4-one
CID 135989878
(5S)-2-tert-butylimino-5-methyl-5-propyl-1,3-thiazolidin-4-one
CID 136021328
(1E)-1-[(5R)-5-(2-methylpropyl)-4-oxo-1,3-thiazolidin-2-ylidene]guanidine
CID 140862409
(1E)-1-[(5S)-5-(2-methylpropyl)-4-oxo-1,3-thiazolidin-2-ylidene]guanidine
CID 140862410
(1E)-1-[5-(2-methylpropyl)-4-oxo-1,3-thiazolidin-2-ylidene]guanidine
CID 140862435
Diethylphosphane;ethane;2-ethylimino-5-propan-2-yl-1,3-thiazolidin-4-one
CID 143146987
2-(4-Ethylhexan-2-ylimino)-5-propan-2-yl-1,3-thiazolidin-4-one;methane
CID 143147028
2-Cyclohexylimino-5-propan-2-yl-1,3-thiazolidin-4-one
CID 143468193
1-[(5R)-5-(2-methylpropyl)-4-oxo-1,3-thiazolidin-2-ylidene]guanidine
CID 160950455
1-[5-(2-Methylpropyl)-4-oxo-1,3-thiazolidin-2-ylidene]guanidine
CID 160950456
1-[(5S)-5-(2-methylpropyl)-4-oxo-1,3-thiazolidin-2-ylidene]guanidine
CID 160950457

Frequently Asked Questions

What is the IUPAC name of 2-tert-butylimino-5-propan-2-yl-1,3-thiazolidin-4-one?
The IUPAC name of 2-tert-butylimino-5-propan-2-yl-1,3-thiazolidin-4-one (CID 137292366) is 2-tert-butylimino-5-propan-2-yl-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-tert-butylimino-5-propan-2-yl-1,3-thiazolidin-4-one?
The canonical SMILES for 2-tert-butylimino-5-propan-2-yl-1,3-thiazolidin-4-one is CC(C)C1S/C(=N\C(C)(C)C)NC1=O.
What is the InChIKey of 2-tert-butylimino-5-propan-2-yl-1,3-thiazolidin-4-one?
The InChIKey is BFPXQBOFERTWIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2OS/c1-6(2)7-8(13)11-9(14-7)12-10(3,4)5/h6-7H,1-5H3,(H,11,12,13).
What are the key properties of 2-tert-butylimino-5-propan-2-yl-1,3-thiazolidin-4-one?
2-tert-butylimino-5-propan-2-yl-1,3-thiazolidin-4-one has a molecular weight of 214.33 g/mol, XLogP of 2.03, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butylimino-5-propan-2-yl-1,3-thiazolidin-4-one is sourced from PubChem (CID 137292366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).