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

C8H11NO3S — CID 4962566

IUPAC4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanoic acid
SMILESCc1csc(=O)n1CCCC(=O)O
InChIInChI=1S/C8H11NO3S/c1-6-5-13-8(12)9(6)4-2-3-7(10)11/h5H,2-4H2,1H3,(H,10,11)
InChIKeyDYRYBHFPOZKIQX-UHFFFAOYSA-N
MW201.25 g/mol
LogP1.08
Rot. Bonds4

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

4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanoic acid (PubChem CID 4962566) has the molecular formula C8H11NO3S and a molecular weight of 201.25 g/mol. Its IUPAC name is 4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanoic acid.

Molecular Properties

Compound Name4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanoic acid
PubChem CID4962566
Molecular FormulaC8H11NO3S
Molecular Weight201.25 g/mol
Exact Mass201.05
IUPAC Name4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanoic acid
SMILESCc1csc(=O)n1CCCC(=O)O
InChIInChI=1S/C8H11NO3S/c1-6-5-13-8(12)9(6)4-2-3-7(10)11/h5H,2-4H2,1H3,(H,10,11)
InChIKeyDYRYBHFPOZKIQX-UHFFFAOYSA-N
XLogP1.08
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.25
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanoic acid?
The IUPAC name of 4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanoic acid (CID 4962566) is 4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanoic acid.
What is the SMILES notation for 4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanoic acid?
The canonical SMILES for 4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanoic acid is Cc1csc(=O)n1CCCC(=O)O.
What is the InChIKey of 4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanoic acid?
The InChIKey is DYRYBHFPOZKIQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO3S/c1-6-5-13-8(12)9(6)4-2-3-7(10)11/h5H,2-4H2,1H3,(H,10,11).
What are the key properties of 4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanoic acid?
4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanoic acid has a molecular weight of 201.25 g/mol, XLogP of 1.08, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanoic acid is sourced from PubChem (CID 4962566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).