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

C6H7NO3S — CID 82372956

IUPAC3-(methoxymethyl)-1,2-thiazole-5-carboxylic acid
SMILESCOCc1cc(C(=O)O)sn1
InChIInChI=1S/C6H7NO3S/c1-10-3-4-2-5(6(8)9)11-7-4/h2H,3H2,1H3,(H,8,9)
InChIKeyBVHWXBDTEIMINR-UHFFFAOYSA-N
MW173.19 g/mol
LogP0.99
Rot. Bonds3

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

3-(methoxymethyl)-1,2-thiazole-5-carboxylic acid (PubChem CID 82372956) has the molecular formula C6H7NO3S and a molecular weight of 173.19 g/mol. Its IUPAC name is 3-(methoxymethyl)-1,2-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name3-(methoxymethyl)-1,2-thiazole-5-carboxylic acid
PubChem CID82372956
Molecular FormulaC6H7NO3S
Molecular Weight173.19 g/mol
Exact Mass173.01
IUPAC Name3-(methoxymethyl)-1,2-thiazole-5-carboxylic acid
SMILESCOCc1cc(C(=O)O)sn1
InChIInChI=1S/C6H7NO3S/c1-10-3-4-2-5(6(8)9)11-7-4/h2H,3H2,1H3,(H,8,9)
InChIKeyBVHWXBDTEIMINR-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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Related Compounds

3-(aminomethyl)-1,2-thiazole-5-carboxylic acid
CID 83480080
1-[3-(methoxymethyl)-1,2-thiazol-5-yl]cyclopropane-1-carboxylic acid
CID 96612609
1-[3-(methoxymethyl)-1,2-thiazol-5-yl]cyclobutane-1-carboxylic acid
CID 96602541
3-(piperazin-1-ylmethyl)-1,2-thiazole-5-carboxylic acid
CID 117215834
3-(diethylamino)-1,2-thiazole-5-carboxylic acid
CID 96620205
2-iodo-6-(methoxymethyl)pyridine-4-carboxylic acid
CID 89271531
1-ethyl-3-(methoxymethyl)pyrazole-5-carboxylic acid
CID 117216170
3-sulfanylcarbonyl-1,2-thiazole-5-carboxylic acid
CID 117215251
sodium;3-chloro-1,2-thiazole-5-carboxylic acid;hydride
CID 174957942
6-(methoxymethyl)pyridine-3-carboxylic acid;sulfur monoxide
CID 158651359
1-ethyl-4-(methoxymethyl)imidazole-2-carboxylic acid
CID 117192152
5-ethoxycarbonyl-1,2-thiazole-3-carboxylic acid
CID 117218324

Frequently Asked Questions

What is the IUPAC name of 3-(methoxymethyl)-1,2-thiazole-5-carboxylic acid?
The IUPAC name of 3-(methoxymethyl)-1,2-thiazole-5-carboxylic acid (CID 82372956) is 3-(methoxymethyl)-1,2-thiazole-5-carboxylic acid.
What is the SMILES notation for 3-(methoxymethyl)-1,2-thiazole-5-carboxylic acid?
The canonical SMILES for 3-(methoxymethyl)-1,2-thiazole-5-carboxylic acid is COCc1cc(C(=O)O)sn1.
What is the InChIKey of 3-(methoxymethyl)-1,2-thiazole-5-carboxylic acid?
The InChIKey is BVHWXBDTEIMINR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7NO3S/c1-10-3-4-2-5(6(8)9)11-7-4/h2H,3H2,1H3,(H,8,9).
What are the key properties of 3-(methoxymethyl)-1,2-thiazole-5-carboxylic acid?
3-(methoxymethyl)-1,2-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 3-(methoxymethyl)-1,2-thiazole-5-carboxylic acid is sourced from PubChem (CID 82372956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).