5-tert-butyl-1,2-thiazolidin-3-one

C7H13NOS — CID 89360652

IUPAC5-tert-butyl-1,2-thiazolidin-3-one
SMILESCC(C)(C)C1CC(=O)NS1
InChIInChI=1S/C7H13NOS/c1-7(2,3)5-4-6(9)8-10-5/h5H,4H2,1-3H3,(H,8,9)
InChIKeyFDOZIKIFMQTHGN-UHFFFAOYSA-N
MW159.25 g/mol
LogP1.57
Rot. Bonds

About 5-tert-butyl-1,2-thiazolidin-3-one

5-tert-butyl-1,2-thiazolidin-3-one (PubChem CID 89360652) has the molecular formula C7H13NOS and a molecular weight of 159.25 g/mol. Its IUPAC name is 5-tert-butyl-1,2-thiazolidin-3-one.

Molecular Properties

Compound Name5-tert-butyl-1,2-thiazolidin-3-one
PubChem CID89360652
Molecular FormulaC7H13NOS
Molecular Weight159.25 g/mol
Exact Mass159.07
IUPAC Name5-tert-butyl-1,2-thiazolidin-3-one
SMILESCC(C)(C)C1CC(=O)NS1
InChIInChI=1S/C7H13NOS/c1-7(2,3)5-4-6(9)8-10-5/h5H,4H2,1-3H3,(H,8,9)
InChIKeyFDOZIKIFMQTHGN-UHFFFAOYSA-N
XLogP1.57
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.25
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 20626034
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5-tert-butyl-1,2-oxazolidin-3-one
CID 59581401
3-tert-butyl-5-oxopyrrolidine-2-carboxylic acid
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6-tert-butyl-1,3-diazinane-2,4-dione
CID 78207120
5-(2,2-dimethylpropanoyl)pyrrolidin-2-one
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5-amino-6-tert-butylpiperidin-2-one
CID 122236933
4-(4-tert-butylcyclohexyl)azetidin-2-one
CID 104576003
tert-butyl (3R)-5-oxopyrrolidine-3-carboxylate
CID 124575955
(5S)-5-(2-hydroxypropan-2-yl)pyrrolidin-2-one
CID 55286707
(2R)-2-tert-butylpiperidin-4-one
CID 86332731
(2S)-N-(2-amino-2-methylpropyl)-5-oxopyrrolidine-2-carboxamide
CID 103807490

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-1,2-thiazolidin-3-one?
The IUPAC name of 5-tert-butyl-1,2-thiazolidin-3-one (CID 89360652) is 5-tert-butyl-1,2-thiazolidin-3-one.
What is the SMILES notation for 5-tert-butyl-1,2-thiazolidin-3-one?
The canonical SMILES for 5-tert-butyl-1,2-thiazolidin-3-one is CC(C)(C)C1CC(=O)NS1.
What is the InChIKey of 5-tert-butyl-1,2-thiazolidin-3-one?
The InChIKey is FDOZIKIFMQTHGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NOS/c1-7(2,3)5-4-6(9)8-10-5/h5H,4H2,1-3H3,(H,8,9).
What are the key properties of 5-tert-butyl-1,2-thiazolidin-3-one?
5-tert-butyl-1,2-thiazolidin-3-one has a molecular weight of 159.25 g/mol, XLogP of 1.57, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-1,2-thiazolidin-3-one is sourced from PubChem (CID 89360652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).