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

C8H11NO3S — CID 19885577

IUPAC4-ethyl-2-(methoxymethyl)-1,3-thiazole-5-carboxylic acid
SMILESCCc1nc(COC)sc1C(=O)O
InChIInChI=1S/C8H11NO3S/c1-3-5-7(8(10)11)13-6(9-5)4-12-2/h3-4H2,1-2H3,(H,10,11)
InChIKeyAWKVHSMYDXOEKJ-UHFFFAOYSA-N
MW201.25 g/mol
LogP1.55
Rot. Bonds4

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

4-ethyl-2-(methoxymethyl)-1,3-thiazole-5-carboxylic acid (PubChem CID 19885577) has the molecular formula C8H11NO3S and a molecular weight of 201.25 g/mol. Its IUPAC name is 4-ethyl-2-(methoxymethyl)-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name4-ethyl-2-(methoxymethyl)-1,3-thiazole-5-carboxylic acid
PubChem CID19885577
Molecular FormulaC8H11NO3S
Molecular Weight201.25 g/mol
Exact Mass201.05
IUPAC Name4-ethyl-2-(methoxymethyl)-1,3-thiazole-5-carboxylic acid
SMILESCCc1nc(COC)sc1C(=O)O
InChIInChI=1S/C8H11NO3S/c1-3-5-7(8(10)11)13-6(9-5)4-12-2/h3-4H2,1-2H3,(H,10,11)
InChIKeyAWKVHSMYDXOEKJ-UHFFFAOYSA-N
XLogP1.55
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.25
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-(methoxymethyl)-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 4-ethyl-2-(methoxymethyl)-1,3-thiazole-5-carboxylic acid (CID 19885577) is 4-ethyl-2-(methoxymethyl)-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 4-ethyl-2-(methoxymethyl)-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 4-ethyl-2-(methoxymethyl)-1,3-thiazole-5-carboxylic acid is CCc1nc(COC)sc1C(=O)O.
What is the InChIKey of 4-ethyl-2-(methoxymethyl)-1,3-thiazole-5-carboxylic acid?
The InChIKey is AWKVHSMYDXOEKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO3S/c1-3-5-7(8(10)11)13-6(9-5)4-12-2/h3-4H2,1-2H3,(H,10,11).
What are the key properties of 4-ethyl-2-(methoxymethyl)-1,3-thiazole-5-carboxylic acid?
4-ethyl-2-(methoxymethyl)-1,3-thiazole-5-carboxylic acid has a molecular weight of 201.25 g/mol, XLogP of 1.55, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-(methoxymethyl)-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 19885577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).