2-propan-2-yloxy-2-(1,3-thiazol-4-yl)propanoic acid

C9H13NO3S — CID 84681137

IUPAC2-propan-2-yloxy-2-(1,3-thiazol-4-yl)propanoic acid
SMILESCC(C)OC(C)(C(=O)O)c1cscn1
InChIInChI=1S/C9H13NO3S/c1-6(2)13-9(3,8(11)12)7-4-14-5-10-7/h4-6H,1-3H3,(H,11,12)
InChIKeyQOZUWFQFHJDZFM-UHFFFAOYSA-N
MW215.27 g/mol
LogP1.87
Rot. Bonds4

About 2-propan-2-yloxy-2-(1,3-thiazol-4-yl)propanoic acid

2-propan-2-yloxy-2-(1,3-thiazol-4-yl)propanoic acid (PubChem CID 84681137) has the molecular formula C9H13NO3S and a molecular weight of 215.27 g/mol. Its IUPAC name is 2-propan-2-yloxy-2-(1,3-thiazol-4-yl)propanoic acid.

Molecular Properties

Compound Name2-propan-2-yloxy-2-(1,3-thiazol-4-yl)propanoic acid
PubChem CID84681137
Molecular FormulaC9H13NO3S
Molecular Weight215.27 g/mol
Exact Mass215.06
IUPAC Name2-propan-2-yloxy-2-(1,3-thiazol-4-yl)propanoic acid
SMILESCC(C)OC(C)(C(=O)O)c1cscn1
InChIInChI=1S/C9H13NO3S/c1-6(2)13-9(3,8(11)12)7-4-14-5-10-7/h4-6H,1-3H3,(H,11,12)
InChIKeyQOZUWFQFHJDZFM-UHFFFAOYSA-N
XLogP1.87
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.27
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yloxy-2-(1,3-thiazol-4-yl)propanoic acid?
The IUPAC name of 2-propan-2-yloxy-2-(1,3-thiazol-4-yl)propanoic acid (CID 84681137) is 2-propan-2-yloxy-2-(1,3-thiazol-4-yl)propanoic acid.
What is the SMILES notation for 2-propan-2-yloxy-2-(1,3-thiazol-4-yl)propanoic acid?
The canonical SMILES for 2-propan-2-yloxy-2-(1,3-thiazol-4-yl)propanoic acid is CC(C)OC(C)(C(=O)O)c1cscn1.
What is the InChIKey of 2-propan-2-yloxy-2-(1,3-thiazol-4-yl)propanoic acid?
The InChIKey is QOZUWFQFHJDZFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO3S/c1-6(2)13-9(3,8(11)12)7-4-14-5-10-7/h4-6H,1-3H3,(H,11,12).
What are the key properties of 2-propan-2-yloxy-2-(1,3-thiazol-4-yl)propanoic acid?
2-propan-2-yloxy-2-(1,3-thiazol-4-yl)propanoic acid has a molecular weight of 215.27 g/mol, XLogP of 1.87, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yloxy-2-(1,3-thiazol-4-yl)propanoic acid is sourced from PubChem (CID 84681137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).