4-(2-oxo-4-propan-2-yl-1,3-thiazol-3-yl)butanoic acid

C10H15NO3S — CID 43286958

IUPAC4-(2-oxo-4-propan-2-yl-1,3-thiazol-3-yl)butanoic acid
SMILESCC(C)c1csc(=O)n1CCCC(=O)O
InChIInChI=1S/C10H15NO3S/c1-7(2)8-6-15-10(14)11(8)5-3-4-9(12)13/h6-7H,3-5H2,1-2H3,(H,12,13)
InChIKeyAKIAHEZOSZWPHU-UHFFFAOYSA-N
MW229.30 g/mol
LogP1.90
Rot. Bonds5

About 4-(2-oxo-4-propan-2-yl-1,3-thiazol-3-yl)butanoic acid

4-(2-oxo-4-propan-2-yl-1,3-thiazol-3-yl)butanoic acid (PubChem CID 43286958) has the molecular formula C10H15NO3S and a molecular weight of 229.30 g/mol. Its IUPAC name is 4-(2-oxo-4-propan-2-yl-1,3-thiazol-3-yl)butanoic acid.

Molecular Properties

Compound Name4-(2-oxo-4-propan-2-yl-1,3-thiazol-3-yl)butanoic acid
PubChem CID43286958
Molecular FormulaC10H15NO3S
Molecular Weight229.30 g/mol
Exact Mass229.08
IUPAC Name4-(2-oxo-4-propan-2-yl-1,3-thiazol-3-yl)butanoic acid
SMILESCC(C)c1csc(=O)n1CCCC(=O)O
InChIInChI=1S/C10H15NO3S/c1-7(2)8-6-15-10(14)11(8)5-3-4-9(12)13/h6-7H,3-5H2,1-2H3,(H,12,13)
InChIKeyAKIAHEZOSZWPHU-UHFFFAOYSA-N
XLogP1.90
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.30
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2-oxo-4-propan-2-yl-1,3-thiazol-3-yl)butanoic acid?
The IUPAC name of 4-(2-oxo-4-propan-2-yl-1,3-thiazol-3-yl)butanoic acid (CID 43286958) is 4-(2-oxo-4-propan-2-yl-1,3-thiazol-3-yl)butanoic acid.
What is the SMILES notation for 4-(2-oxo-4-propan-2-yl-1,3-thiazol-3-yl)butanoic acid?
The canonical SMILES for 4-(2-oxo-4-propan-2-yl-1,3-thiazol-3-yl)butanoic acid is CC(C)c1csc(=O)n1CCCC(=O)O.
What is the InChIKey of 4-(2-oxo-4-propan-2-yl-1,3-thiazol-3-yl)butanoic acid?
The InChIKey is AKIAHEZOSZWPHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO3S/c1-7(2)8-6-15-10(14)11(8)5-3-4-9(12)13/h6-7H,3-5H2,1-2H3,(H,12,13).
What are the key properties of 4-(2-oxo-4-propan-2-yl-1,3-thiazol-3-yl)butanoic acid?
4-(2-oxo-4-propan-2-yl-1,3-thiazol-3-yl)butanoic acid has a molecular weight of 229.30 g/mol, XLogP of 1.90, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-oxo-4-propan-2-yl-1,3-thiazol-3-yl)butanoic acid is sourced from PubChem (CID 43286958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).