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

C11H17NO3S — CID 16768110

IUPAC4-(4-tert-butyl-2-oxo-1,3-thiazol-3-yl)butanoic acid
SMILESCC(C)(C)c1csc(=O)n1CCCC(=O)O
InChIInChI=1S/C11H17NO3S/c1-11(2,3)8-7-16-10(15)12(8)6-4-5-9(13)14/h7H,4-6H2,1-3H3,(H,13,14)
InChIKeyPKYVMNXQJXQCJN-UHFFFAOYSA-N
MW243.33 g/mol
LogP2.07
Rot. Bonds4

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

4-(4-tert-butyl-2-oxo-1,3-thiazol-3-yl)butanoic acid (PubChem CID 16768110) has the molecular formula C11H17NO3S and a molecular weight of 243.33 g/mol. Its IUPAC name is 4-(4-tert-butyl-2-oxo-1,3-thiazol-3-yl)butanoic acid.

Molecular Properties

Compound Name4-(4-tert-butyl-2-oxo-1,3-thiazol-3-yl)butanoic acid
PubChem CID16768110
Molecular FormulaC11H17NO3S
Molecular Weight243.33 g/mol
Exact Mass243.09
IUPAC Name4-(4-tert-butyl-2-oxo-1,3-thiazol-3-yl)butanoic acid
SMILESCC(C)(C)c1csc(=O)n1CCCC(=O)O
InChIInChI=1S/C11H17NO3S/c1-11(2,3)8-7-16-10(15)12(8)6-4-5-9(13)14/h7H,4-6H2,1-3H3,(H,13,14)
InChIKeyPKYVMNXQJXQCJN-UHFFFAOYSA-N
XLogP2.07
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.33
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(4-tert-butyl-2-oxo-1,3-thiazol-3-yl)butanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(4-tert-butyl-2-oxo-1,3-thiazol-3-yl)butanoic acid?
The IUPAC name of 4-(4-tert-butyl-2-oxo-1,3-thiazol-3-yl)butanoic acid (CID 16768110) is 4-(4-tert-butyl-2-oxo-1,3-thiazol-3-yl)butanoic acid.
What is the SMILES notation for 4-(4-tert-butyl-2-oxo-1,3-thiazol-3-yl)butanoic acid?
The canonical SMILES for 4-(4-tert-butyl-2-oxo-1,3-thiazol-3-yl)butanoic acid is CC(C)(C)c1csc(=O)n1CCCC(=O)O.
What is the InChIKey of 4-(4-tert-butyl-2-oxo-1,3-thiazol-3-yl)butanoic acid?
The InChIKey is PKYVMNXQJXQCJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO3S/c1-11(2,3)8-7-16-10(15)12(8)6-4-5-9(13)14/h7H,4-6H2,1-3H3,(H,13,14).
What are the key properties of 4-(4-tert-butyl-2-oxo-1,3-thiazol-3-yl)butanoic acid?
4-(4-tert-butyl-2-oxo-1,3-thiazol-3-yl)butanoic acid has a molecular weight of 243.33 g/mol, XLogP of 2.07, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-tert-butyl-2-oxo-1,3-thiazol-3-yl)butanoic acid is sourced from PubChem (CID 16768110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).