2-(methoxymethyl)-1,3-thiazole-5-carboxylic acid

C6H7NO3S — CID 19885554

IUPAC2-(methoxymethyl)-1,3-thiazole-5-carboxylic acid
SMILESCOCc1ncc(C(=O)O)s1
InChIInChI=1S/C6H7NO3S/c1-10-3-5-7-2-4(11-5)6(8)9/h2H,3H2,1H3,(H,8,9)
InChIKeyLEBZOHUAJZKARI-UHFFFAOYSA-N
MW173.19 g/mol
LogP0.99
Rot. Bonds3

About 2-(methoxymethyl)-1,3-thiazole-5-carboxylic acid

2-(methoxymethyl)-1,3-thiazole-5-carboxylic acid (PubChem CID 19885554) has the molecular formula C6H7NO3S and a molecular weight of 173.19 g/mol. Its IUPAC name is 2-(methoxymethyl)-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name2-(methoxymethyl)-1,3-thiazole-5-carboxylic acid
PubChem CID19885554
Molecular FormulaC6H7NO3S
Molecular Weight173.19 g/mol
Exact Mass173.01
IUPAC Name2-(methoxymethyl)-1,3-thiazole-5-carboxylic acid
SMILESCOCc1ncc(C(=O)O)s1
InChIInChI=1S/C6H7NO3S/c1-10-3-5-7-2-4(11-5)6(8)9/h2H,3H2,1H3,(H,8,9)
InChIKeyLEBZOHUAJZKARI-UHFFFAOYSA-N
XLogP0.99
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.19
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(methoxymethyl)-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 2-(methoxymethyl)-1,3-thiazole-5-carboxylic acid (CID 19885554) is 2-(methoxymethyl)-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 2-(methoxymethyl)-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 2-(methoxymethyl)-1,3-thiazole-5-carboxylic acid is COCc1ncc(C(=O)O)s1.
What is the InChIKey of 2-(methoxymethyl)-1,3-thiazole-5-carboxylic acid?
The InChIKey is LEBZOHUAJZKARI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7NO3S/c1-10-3-5-7-2-4(11-5)6(8)9/h2H,3H2,1H3,(H,8,9).
What are the key properties of 2-(methoxymethyl)-1,3-thiazole-5-carboxylic acid?
2-(methoxymethyl)-1,3-thiazole-5-carboxylic acid has a molecular weight of 173.19 g/mol, XLogP of 0.99, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxymethyl)-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 19885554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).