2-[(2-oxo-3H-1,3-thiazol-4-yl)methylsulfamoyl]acetic acid

C6H8N2O5S2 — CID 106379569

IUPAC2-[(2-oxo-3H-1,3-thiazol-4-yl)methylsulfamoyl]acetic acid
SMILESO=C(O)CS(=O)(=O)NCc1csc(=O)[nH]1
InChIInChI=1S/C6H8N2O5S2/c9-5(10)3-15(12,13)7-1-4-2-14-6(11)8-4/h2,7H,1,3H2,(H,8,11)(H,9,10)
InChIKeyNNJJCAYKKHYCEU-UHFFFAOYSA-N
MW252.27 g/mol
LogP-1.06
Rot. Bonds5

About 2-[(2-oxo-3H-1,3-thiazol-4-yl)methylsulfamoyl]acetic acid

2-[(2-oxo-3H-1,3-thiazol-4-yl)methylsulfamoyl]acetic acid (PubChem CID 106379569) has the molecular formula C6H8N2O5S2 and a molecular weight of 252.27 g/mol. Its IUPAC name is 2-[(2-oxo-3H-1,3-thiazol-4-yl)methylsulfamoyl]acetic acid.

Molecular Properties

Compound Name2-[(2-oxo-3H-1,3-thiazol-4-yl)methylsulfamoyl]acetic acid
PubChem CID106379569
Molecular FormulaC6H8N2O5S2
Molecular Weight252.27 g/mol
Exact Mass251.99
IUPAC Name2-[(2-oxo-3H-1,3-thiazol-4-yl)methylsulfamoyl]acetic acid
SMILESO=C(O)CS(=O)(=O)NCc1csc(=O)[nH]1
InChIInChI=1S/C6H8N2O5S2/c9-5(10)3-15(12,13)7-1-4-2-14-6(11)8-4/h2,7H,1,3H2,(H,8,11)(H,9,10)
InChIKeyNNJJCAYKKHYCEU-UHFFFAOYSA-N
XLogP-1.06
TPSA116.33 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 5-1.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-oxo-3H-1,3-thiazol-4-yl)methylsulfamoyl]acetic acid?
The IUPAC name of 2-[(2-oxo-3H-1,3-thiazol-4-yl)methylsulfamoyl]acetic acid (CID 106379569) is 2-[(2-oxo-3H-1,3-thiazol-4-yl)methylsulfamoyl]acetic acid.
What is the SMILES notation for 2-[(2-oxo-3H-1,3-thiazol-4-yl)methylsulfamoyl]acetic acid?
The canonical SMILES for 2-[(2-oxo-3H-1,3-thiazol-4-yl)methylsulfamoyl]acetic acid is O=C(O)CS(=O)(=O)NCc1csc(=O)[nH]1.
What is the InChIKey of 2-[(2-oxo-3H-1,3-thiazol-4-yl)methylsulfamoyl]acetic acid?
The InChIKey is NNJJCAYKKHYCEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O5S2/c9-5(10)3-15(12,13)7-1-4-2-14-6(11)8-4/h2,7H,1,3H2,(H,8,11)(H,9,10).
What are the key properties of 2-[(2-oxo-3H-1,3-thiazol-4-yl)methylsulfamoyl]acetic acid?
2-[(2-oxo-3H-1,3-thiazol-4-yl)methylsulfamoyl]acetic acid has a molecular weight of 252.27 g/mol, XLogP of -1.06, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-oxo-3H-1,3-thiazol-4-yl)methylsulfamoyl]acetic acid is sourced from PubChem (CID 106379569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).