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

C9H13NO4S — CID 114360098

IUPAC2-(1-methoxyethyl)-4-(methoxymethyl)-1,3-thiazole-5-carboxylic acid
SMILESCOCc1nc(C(C)OC)sc1C(=O)O
InChIInChI=1S/C9H13NO4S/c1-5(14-3)8-10-6(4-13-2)7(15-8)9(11)12/h5H,4H2,1-3H3,(H,11,12)
InChIKeyFQTBWXIKAGEHAQ-UHFFFAOYSA-N
MW231.27 g/mol
LogP1.70
Rot. Bonds5

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

2-(1-methoxyethyl)-4-(methoxymethyl)-1,3-thiazole-5-carboxylic acid (PubChem CID 114360098) has the molecular formula C9H13NO4S and a molecular weight of 231.27 g/mol. Its IUPAC name is 2-(1-methoxyethyl)-4-(methoxymethyl)-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name2-(1-methoxyethyl)-4-(methoxymethyl)-1,3-thiazole-5-carboxylic acid
PubChem CID114360098
Molecular FormulaC9H13NO4S
Molecular Weight231.27 g/mol
Exact Mass231.06
IUPAC Name2-(1-methoxyethyl)-4-(methoxymethyl)-1,3-thiazole-5-carboxylic acid
SMILESCOCc1nc(C(C)OC)sc1C(=O)O
InChIInChI=1S/C9H13NO4S/c1-5(14-3)8-10-6(4-13-2)7(15-8)9(11)12/h5H,4H2,1-3H3,(H,11,12)
InChIKeyFQTBWXIKAGEHAQ-UHFFFAOYSA-N
XLogP1.70
TPSA68.65 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.27
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(methoxymethyl)-2-(1-methoxypropan-2-yl)-1,3-thiazole-5-carboxylic acid
CID 114360811
4-(methoxymethyl)-2-(2-methylpropanoylamino)-1,3-thiazole-5-carboxylic acid
CID 82226605
4-(methoxymethyl)-2-(sulfamoylmethyl)-1,3-thiazole-5-carboxylic acid
CID 114360077
methyl 2-(1-methoxyethyl)-4-methyl-1,3-thiazole-5-carboxylate
CID 79832555
2-(diethylamino)-4-(methoxymethyl)-1,3-thiazole-5-carboxylic acid
CID 114360061
4-(phenoxymethyl)-2-propan-2-yl-1,3-thiazole-5-carboxylic acid
CID 82226748
2-[1-(dimethylamino)propan-2-yl-ethylamino]-4-(methoxymethyl)-1,3-thiazole-5-carboxylic acid
CID 107509465
2-(4,4-diethylpiperidin-1-yl)-4-(methoxymethyl)-1,3-thiazole-5-carboxylic acid
CID 107509379
2-cyclohexyl-4-(methoxymethyl)-1,3-thiazole-5-carboxylic acid
CID 114360064
4-(methoxymethyl)-2-pyridin-4-yl-1,3-thiazole-5-carboxylic acid
CID 82227122
1-[4-(methoxymethyl)-2-(methylsulfonylmethyl)-1,3-thiazol-5-yl]ethanone
CID 82440757
2-(4-bromophenyl)-4-(methoxymethyl)-1,3-thiazole-5-carboxylic acid
CID 114359955

Frequently Asked Questions

What is the IUPAC name of 2-(1-methoxyethyl)-4-(methoxymethyl)-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 2-(1-methoxyethyl)-4-(methoxymethyl)-1,3-thiazole-5-carboxylic acid (CID 114360098) is 2-(1-methoxyethyl)-4-(methoxymethyl)-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 2-(1-methoxyethyl)-4-(methoxymethyl)-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 2-(1-methoxyethyl)-4-(methoxymethyl)-1,3-thiazole-5-carboxylic acid is COCc1nc(C(C)OC)sc1C(=O)O.
What is the InChIKey of 2-(1-methoxyethyl)-4-(methoxymethyl)-1,3-thiazole-5-carboxylic acid?
The InChIKey is FQTBWXIKAGEHAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO4S/c1-5(14-3)8-10-6(4-13-2)7(15-8)9(11)12/h5H,4H2,1-3H3,(H,11,12).
What are the key properties of 2-(1-methoxyethyl)-4-(methoxymethyl)-1,3-thiazole-5-carboxylic acid?
2-(1-methoxyethyl)-4-(methoxymethyl)-1,3-thiazole-5-carboxylic acid has a molecular weight of 231.27 g/mol, XLogP of 1.70, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methoxyethyl)-4-(methoxymethyl)-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 114360098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).