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

C7H10N2O5S2 — CID 106379587

IUPAC2-[(2-oxo-3H-1,3-thiazol-4-yl)methylsulfamoyl]propanoic acid
SMILESCC(C(=O)O)S(=O)(=O)NCc1csc(=O)[nH]1
InChIInChI=1S/C7H10N2O5S2/c1-4(6(10)11)16(13,14)8-2-5-3-15-7(12)9-5/h3-4,8H,2H2,1H3,(H,9,12)(H,10,11)
InChIKeyXWHZNCAQZMBUPR-UHFFFAOYSA-N
MW266.30 g/mol
LogP-0.67
Rot. Bonds5

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

2-[(2-oxo-3H-1,3-thiazol-4-yl)methylsulfamoyl]propanoic acid (PubChem CID 106379587) has the molecular formula C7H10N2O5S2 and a molecular weight of 266.30 g/mol. Its IUPAC name is 2-[(2-oxo-3H-1,3-thiazol-4-yl)methylsulfamoyl]propanoic acid.

Molecular Properties

Compound Name2-[(2-oxo-3H-1,3-thiazol-4-yl)methylsulfamoyl]propanoic acid
PubChem CID106379587
Molecular FormulaC7H10N2O5S2
Molecular Weight266.30 g/mol
Exact Mass266.00
IUPAC Name2-[(2-oxo-3H-1,3-thiazol-4-yl)methylsulfamoyl]propanoic acid
SMILESCC(C(=O)O)S(=O)(=O)NCc1csc(=O)[nH]1
InChIInChI=1S/C7H10N2O5S2/c1-4(6(10)11)16(13,14)8-2-5-3-15-7(12)9-5/h3-4,8H,2H2,1H3,(H,9,12)(H,10,11)
InChIKeyXWHZNCAQZMBUPR-UHFFFAOYSA-N
XLogP-0.67
TPSA116.33 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 5-0.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4-[(2-oxo-3H-1,3-thiazol-4-yl)methylsulfamoyl]butanoate
CID 103868093
2-[(2-oxo-3H-1,3-thiazol-4-yl)methylsulfamoyl]acetic acid
CID 106379569
3-[(2-oxo-3H-1,3-thiazol-4-yl)methylsulfamoyl]propanoic acid
CID 106379574
3-[methyl-[(2-oxo-3H-1,3-thiazol-4-yl)methylsulfamoyl]amino]propanoic acid
CID 106379595
4-[(2-oxo-3H-1,3-thiazol-4-yl)methylsulfamoyl]butanoic acid
CID 106379597
3-hydroxy-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]propane-1-sulfonamide
CID 106383784
1-hydroxy-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]propane-2-sulfonamide
CID 106383797

Frequently Asked Questions

What is the IUPAC name of 2-[(2-oxo-3H-1,3-thiazol-4-yl)methylsulfamoyl]propanoic acid?
The IUPAC name of 2-[(2-oxo-3H-1,3-thiazol-4-yl)methylsulfamoyl]propanoic acid (CID 106379587) is 2-[(2-oxo-3H-1,3-thiazol-4-yl)methylsulfamoyl]propanoic acid.
What is the SMILES notation for 2-[(2-oxo-3H-1,3-thiazol-4-yl)methylsulfamoyl]propanoic acid?
The canonical SMILES for 2-[(2-oxo-3H-1,3-thiazol-4-yl)methylsulfamoyl]propanoic acid is CC(C(=O)O)S(=O)(=O)NCc1csc(=O)[nH]1.
What is the InChIKey of 2-[(2-oxo-3H-1,3-thiazol-4-yl)methylsulfamoyl]propanoic acid?
The InChIKey is XWHZNCAQZMBUPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O5S2/c1-4(6(10)11)16(13,14)8-2-5-3-15-7(12)9-5/h3-4,8H,2H2,1H3,(H,9,12)(H,10,11).
What are the key properties of 2-[(2-oxo-3H-1,3-thiazol-4-yl)methylsulfamoyl]propanoic acid?
2-[(2-oxo-3H-1,3-thiazol-4-yl)methylsulfamoyl]propanoic acid has a molecular weight of 266.30 g/mol, XLogP of -0.67, 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]propanoic acid is sourced from PubChem (CID 106379587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).