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

C7H10N2O5S2 — CID 114360077

IUPAC4-(methoxymethyl)-2-(sulfamoylmethyl)-1,3-thiazole-5-carboxylic acid
SMILESCOCc1nc(CS(N)(=O)=O)sc1C(=O)O
InChIInChI=1S/C7H10N2O5S2/c1-14-2-4-6(7(10)11)15-5(9-4)3-16(8,12)13/h2-3H2,1H3,(H,10,11)(H2,8,12,13)
InChIKeyHUZJHUQGFUROPD-UHFFFAOYSA-N
MW266.30 g/mol
LogP-0.22
Rot. Bonds5

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

4-(methoxymethyl)-2-(sulfamoylmethyl)-1,3-thiazole-5-carboxylic acid (PubChem CID 114360077) has the molecular formula C7H10N2O5S2 and a molecular weight of 266.30 g/mol. Its IUPAC name is 4-(methoxymethyl)-2-(sulfamoylmethyl)-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name4-(methoxymethyl)-2-(sulfamoylmethyl)-1,3-thiazole-5-carboxylic acid
PubChem CID114360077
Molecular FormulaC7H10N2O5S2
Molecular Weight266.30 g/mol
Exact Mass266.00
IUPAC Name4-(methoxymethyl)-2-(sulfamoylmethyl)-1,3-thiazole-5-carboxylic acid
SMILESCOCc1nc(CS(N)(=O)=O)sc1C(=O)O
InChIInChI=1S/C7H10N2O5S2/c1-14-2-4-6(7(10)11)15-5(9-4)3-16(8,12)13/h2-3H2,1H3,(H,10,11)(H2,8,12,13)
InChIKeyHUZJHUQGFUROPD-UHFFFAOYSA-N
XLogP-0.22
TPSA119.58 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 5-0.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(methoxymethyl)-2-(sulfamoylmethyl)-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 4-(methoxymethyl)-2-(sulfamoylmethyl)-1,3-thiazole-5-carboxylic acid (CID 114360077) is 4-(methoxymethyl)-2-(sulfamoylmethyl)-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 4-(methoxymethyl)-2-(sulfamoylmethyl)-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 4-(methoxymethyl)-2-(sulfamoylmethyl)-1,3-thiazole-5-carboxylic acid is COCc1nc(CS(N)(=O)=O)sc1C(=O)O.
What is the InChIKey of 4-(methoxymethyl)-2-(sulfamoylmethyl)-1,3-thiazole-5-carboxylic acid?
The InChIKey is HUZJHUQGFUROPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O5S2/c1-14-2-4-6(7(10)11)15-5(9-4)3-16(8,12)13/h2-3H2,1H3,(H,10,11)(H2,8,12,13).
What are the key properties of 4-(methoxymethyl)-2-(sulfamoylmethyl)-1,3-thiazole-5-carboxylic acid?
4-(methoxymethyl)-2-(sulfamoylmethyl)-1,3-thiazole-5-carboxylic acid has a molecular weight of 266.30 g/mol, XLogP of -0.22, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methoxymethyl)-2-(sulfamoylmethyl)-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 114360077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).