2-tert-butyl-1,3-thiazolidin-4-one

C7H13NOS — CID 19813451

IUPAC2-tert-butyl-1,3-thiazolidin-4-one
SMILESCC(C)(C)C1NC(=O)CS1
InChIInChI=1S/C7H13NOS/c1-7(2,3)6-8-5(9)4-10-6/h6H,4H2,1-3H3,(H,8,9)
InChIKeySKJZQHZMDOJQOP-UHFFFAOYSA-N
MW159.25 g/mol
LogP1.22
Rot. Bonds

About 2-tert-butyl-1,3-thiazolidin-4-one

2-tert-butyl-1,3-thiazolidin-4-one (PubChem CID 19813451) has the molecular formula C7H13NOS and a molecular weight of 159.25 g/mol. Its IUPAC name is 2-tert-butyl-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-tert-butyl-1,3-thiazolidin-4-one
PubChem CID19813451
Molecular FormulaC7H13NOS
Molecular Weight159.25 g/mol
Exact Mass159.07
IUPAC Name2-tert-butyl-1,3-thiazolidin-4-one
SMILESCC(C)(C)C1NC(=O)CS1
InChIInChI=1S/C7H13NOS/c1-7(2,3)6-8-5(9)4-10-6/h6H,4H2,1-3H3,(H,8,9)
InChIKeySKJZQHZMDOJQOP-UHFFFAOYSA-N
XLogP1.22
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 ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-((thiolan-3-yl)methyl)acetamide
CID 107298403
N-[3-(Methylsulfanyl)propyl]acetamide
CID 14296346
N-(thiolan-2-yl)acetamide
CID 44558384
N-tetrahydrothiophen-3-ylacetamide
CID 504551
Methyl-4-thiazolidinone
CID 14405095
S-(3-(Acetylamino)propyl) ethanethioate
CID 53997947
N-thenylacetamide
CID 80403605
2-(1-Fluoropropan-2-yl)-1,3-thiazolidin-4-one
CID 21706576
2-Pentyl-1,3-thiazolidin-4-one
CID 12866703
2-(2-Methylpropyl)-1,3-thiazolidin-4-one
CID 12866704
2-Ethyl-1,3-thiazolidin-4-one
CID 14405097
2-Propyl-1,3-thiazolidin-4-one
CID 14405098

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-1,3-thiazolidin-4-one?
The IUPAC name of 2-tert-butyl-1,3-thiazolidin-4-one (CID 19813451) is 2-tert-butyl-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-tert-butyl-1,3-thiazolidin-4-one?
The canonical SMILES for 2-tert-butyl-1,3-thiazolidin-4-one is CC(C)(C)C1NC(=O)CS1.
What is the InChIKey of 2-tert-butyl-1,3-thiazolidin-4-one?
The InChIKey is SKJZQHZMDOJQOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NOS/c1-7(2,3)6-8-5(9)4-10-6/h6H,4H2,1-3H3,(H,8,9).
What are the key properties of 2-tert-butyl-1,3-thiazolidin-4-one?
2-tert-butyl-1,3-thiazolidin-4-one has a molecular weight of 159.25 g/mol, XLogP of 1.22, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-1,3-thiazolidin-4-one is sourced from PubChem (CID 19813451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).