2-Tert-butyl-1-oxo-1,3-thiazolidin-4-one

C7H13NO2S — CID 20804964

IUPAC2-tert-butyl-1-oxo-1,3-thiazolidin-4-one
SMILESCC(C)(C)C1NC(=O)CS1=O
InChIInChI=1S/C7H13NO2S/c1-7(2,3)6-8-5(9)4-11(6)10/h6H,4H2,1-3H3,(H,8,9)
InChIKeyRSEQTUQDJXKESW-UHFFFAOYSA-N
MW175.25 g/mol
LogP0.40
Rot. Bonds1

About 2-Tert-butyl-1-oxo-1,3-thiazolidin-4-one

2-Tert-butyl-1-oxo-1,3-thiazolidin-4-one (PubChem CID 20804964) has the molecular formula C7H13NO2S and a molecular weight of 175.25 g/mol. Its IUPAC name is 2-tert-butyl-1-oxo-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-Tert-butyl-1-oxo-1,3-thiazolidin-4-one
PubChem CID20804964
Molecular FormulaC7H13NO2S
Molecular Weight175.25 g/mol
Exact Mass175.07
IUPAC Name2-tert-butyl-1-oxo-1,3-thiazolidin-4-one
SMILESCC(C)(C)C1NC(=O)CS1=O
InChIInChI=1S/C7H13NO2S/c1-7(2,3)6-8-5(9)4-11(6)10/h6H,4H2,1-3H3,(H,8,9)
InChIKeyRSEQTUQDJXKESW-UHFFFAOYSA-N
XLogP0.40
TPSA65.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity207

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.25
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-Ethyl-1,3-thiazolidin-4-one
CID 14405097
2-Methyl-1,1-dioxo-1,3-thiazolidin-4-one
CID 19595409
2-Tert-butyl-1,3-thiazolidin-4-one
CID 19813451
2-Tert-butyl-1,1-dioxo-1,3-thiazolidin-4-one
CID 20804951
2-Butyl-1-oxo-1,3-thiazolidin-4-one
CID 21706620
5-Propan-2-ylsulfonylpyrrolidin-2-one
CID 58342281
N-(1-oxothiolan-3-yl)acetamide
CID 126633837
N-[2-(2,2-dimethylpropylsulfinyl)ethyl]propanamide
CID 146579698
N-(1,1-dioxothiolan-2-yl)propanamide
CID 150199244
2-Propan-2-yl-1,3-thiazolidin-4-one
CID 153988098
2-Methyl-1-oxo-1,3-thiazolidin-4-one
CID 154318690
N-(1,1-dioxothiolan-2-yl)acetamide
CID 154342338

Frequently Asked Questions

What is the IUPAC name of 2-Tert-butyl-1-oxo-1,3-thiazolidin-4-one?
The IUPAC name of 2-Tert-butyl-1-oxo-1,3-thiazolidin-4-one (CID 20804964) is 2-tert-butyl-1-oxo-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-Tert-butyl-1-oxo-1,3-thiazolidin-4-one?
The canonical SMILES for 2-Tert-butyl-1-oxo-1,3-thiazolidin-4-one is CC(C)(C)C1NC(=O)CS1=O.
What is the InChIKey of 2-Tert-butyl-1-oxo-1,3-thiazolidin-4-one?
The InChIKey is RSEQTUQDJXKESW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO2S/c1-7(2,3)6-8-5(9)4-11(6)10/h6H,4H2,1-3H3,(H,8,9).
What are the key properties of 2-Tert-butyl-1-oxo-1,3-thiazolidin-4-one?
2-Tert-butyl-1-oxo-1,3-thiazolidin-4-one has a molecular weight of 175.25 g/mol, XLogP of 0.40, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-Tert-butyl-1-oxo-1,3-thiazolidin-4-one is sourced from PubChem (CID 20804964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).