2-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoic acid

C12H11NO3S — CID 4962844

IUPAC2-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoic acid
SMILESCc1nc(COc2ccccc2C(=O)O)cs1
InChIInChI=1S/C12H11NO3S/c1-8-13-9(7-17-8)6-16-11-5-3-2-4-10(11)12(14)15/h2-5,7H,6H2,1H3,(H,14,15)
InChIKeyOLLYNXHSYOZLGB-UHFFFAOYSA-N
MW249.29 g/mol
LogP2.73
Rot. Bonds4

About 2-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoic acid

2-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoic acid (PubChem CID 4962844) has the molecular formula C12H11NO3S and a molecular weight of 249.29 g/mol. Its IUPAC name is 2-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoic acid.

Molecular Properties

Compound Name2-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoic acid
PubChem CID4962844
Molecular FormulaC12H11NO3S
Molecular Weight249.29 g/mol
Exact Mass249.05
IUPAC Name2-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoic acid
SMILESCc1nc(COc2ccccc2C(=O)O)cs1
InChIInChI=1S/C12H11NO3S/c1-8-13-9(7-17-8)6-16-11-5-3-2-4-10(11)12(14)15/h2-5,7H,6H2,1H3,(H,14,15)
InChIKeyOLLYNXHSYOZLGB-UHFFFAOYSA-N
XLogP2.73
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.29
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoic acid?
The IUPAC name of 2-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoic acid (CID 4962844) is 2-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoic acid.
What is the SMILES notation for 2-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoic acid?
The canonical SMILES for 2-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoic acid is Cc1nc(COc2ccccc2C(=O)O)cs1.
What is the InChIKey of 2-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoic acid?
The InChIKey is OLLYNXHSYOZLGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO3S/c1-8-13-9(7-17-8)6-16-11-5-3-2-4-10(11)12(14)15/h2-5,7H,6H2,1H3,(H,14,15).
What are the key properties of 2-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoic acid?
2-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoic acid has a molecular weight of 249.29 g/mol, XLogP of 2.73, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoic acid is sourced from PubChem (CID 4962844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).