5-acetyl-2-(methoxymethyl)-1,3-thiazole-4-carboxylic acid

C8H9NO4S — CID 106696340

IUPAC5-acetyl-2-(methoxymethyl)-1,3-thiazole-4-carboxylic acid
SMILESCOCc1nc(C(=O)O)c(C(C)=O)s1
InChIInChI=1S/C8H9NO4S/c1-4(10)7-6(8(11)12)9-5(14-7)3-13-2/h3H2,1-2H3,(H,11,12)
InChIKeyJEIDWZPNXHSMCS-UHFFFAOYSA-N
MW215.23 g/mol
LogP1.19
Rot. Bonds4

About 5-acetyl-2-(methoxymethyl)-1,3-thiazole-4-carboxylic acid

5-acetyl-2-(methoxymethyl)-1,3-thiazole-4-carboxylic acid (PubChem CID 106696340) has the molecular formula C8H9NO4S and a molecular weight of 215.23 g/mol. Its IUPAC name is 5-acetyl-2-(methoxymethyl)-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name5-acetyl-2-(methoxymethyl)-1,3-thiazole-4-carboxylic acid
PubChem CID106696340
Molecular FormulaC8H9NO4S
Molecular Weight215.23 g/mol
Exact Mass215.03
IUPAC Name5-acetyl-2-(methoxymethyl)-1,3-thiazole-4-carboxylic acid
SMILESCOCc1nc(C(=O)O)c(C(C)=O)s1
InChIInChI=1S/C8H9NO4S/c1-4(10)7-6(8(11)12)9-5(14-7)3-13-2/h3H2,1-2H3,(H,11,12)
InChIKeyJEIDWZPNXHSMCS-UHFFFAOYSA-N
XLogP1.19
TPSA76.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.23
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-acetyl-2-(methoxymethyl)-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 5-acetyl-2-(methoxymethyl)-1,3-thiazole-4-carboxylic acid (CID 106696340) is 5-acetyl-2-(methoxymethyl)-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 5-acetyl-2-(methoxymethyl)-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 5-acetyl-2-(methoxymethyl)-1,3-thiazole-4-carboxylic acid is COCc1nc(C(=O)O)c(C(C)=O)s1.
What is the InChIKey of 5-acetyl-2-(methoxymethyl)-1,3-thiazole-4-carboxylic acid?
The InChIKey is JEIDWZPNXHSMCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO4S/c1-4(10)7-6(8(11)12)9-5(14-7)3-13-2/h3H2,1-2H3,(H,11,12).
What are the key properties of 5-acetyl-2-(methoxymethyl)-1,3-thiazole-4-carboxylic acid?
5-acetyl-2-(methoxymethyl)-1,3-thiazole-4-carboxylic acid has a molecular weight of 215.23 g/mol, XLogP of 1.19, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-2-(methoxymethyl)-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 106696340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).