2-(3-methoxy-1,2-thiazol-5-yl)-2-methylpropanoic acid

C8H11NO3S — CID 131143340

IUPAC2-(3-methoxy-1,2-thiazol-5-yl)-2-methylpropanoic acid
SMILESCOc1cc(C(C)(C)C(=O)O)sn1
InChIInChI=1S/C8H11NO3S/c1-8(2,7(10)11)5-4-6(12-3)9-13-5/h4H,1-3H3,(H,10,11)
InChIKeyAIHQPSIXBGQAKR-UHFFFAOYSA-N
MW201.25 g/mol
LogP1.51
Rot. Bonds3

About 2-(3-methoxy-1,2-thiazol-5-yl)-2-methylpropanoic acid

2-(3-methoxy-1,2-thiazol-5-yl)-2-methylpropanoic acid (PubChem CID 131143340) has the molecular formula C8H11NO3S and a molecular weight of 201.25 g/mol. Its IUPAC name is 2-(3-methoxy-1,2-thiazol-5-yl)-2-methylpropanoic acid.

Molecular Properties

Compound Name2-(3-methoxy-1,2-thiazol-5-yl)-2-methylpropanoic acid
PubChem CID131143340
Molecular FormulaC8H11NO3S
Molecular Weight201.25 g/mol
Exact Mass201.05
IUPAC Name2-(3-methoxy-1,2-thiazol-5-yl)-2-methylpropanoic acid
SMILESCOc1cc(C(C)(C)C(=O)O)sn1
InChIInChI=1S/C8H11NO3S/c1-8(2,7(10)11)5-4-6(12-3)9-13-5/h4H,1-3H3,(H,10,11)
InChIKeyAIHQPSIXBGQAKR-UHFFFAOYSA-N
XLogP1.51
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.25
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxy-1,2-thiazol-5-yl)-2-methylpropanoic acid?
The IUPAC name of 2-(3-methoxy-1,2-thiazol-5-yl)-2-methylpropanoic acid (CID 131143340) is 2-(3-methoxy-1,2-thiazol-5-yl)-2-methylpropanoic acid.
What is the SMILES notation for 2-(3-methoxy-1,2-thiazol-5-yl)-2-methylpropanoic acid?
The canonical SMILES for 2-(3-methoxy-1,2-thiazol-5-yl)-2-methylpropanoic acid is COc1cc(C(C)(C)C(=O)O)sn1.
What is the InChIKey of 2-(3-methoxy-1,2-thiazol-5-yl)-2-methylpropanoic acid?
The InChIKey is AIHQPSIXBGQAKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO3S/c1-8(2,7(10)11)5-4-6(12-3)9-13-5/h4H,1-3H3,(H,10,11).
What are the key properties of 2-(3-methoxy-1,2-thiazol-5-yl)-2-methylpropanoic acid?
2-(3-methoxy-1,2-thiazol-5-yl)-2-methylpropanoic acid has a molecular weight of 201.25 g/mol, XLogP of 1.51, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxy-1,2-thiazol-5-yl)-2-methylpropanoic acid is sourced from PubChem (CID 131143340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).