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

C7H10N2O5S2 — CID 106379574

IUPAC3-[(2-oxo-3H-1,3-thiazol-4-yl)methylsulfamoyl]propanoic acid
SMILESO=C(O)CCS(=O)(=O)NCc1csc(=O)[nH]1
InChIInChI=1S/C7H10N2O5S2/c10-6(11)1-2-16(13,14)8-3-5-4-15-7(12)9-5/h4,8H,1-3H2,(H,9,12)(H,10,11)
InChIKeyAPRCHQTWHLLKEP-UHFFFAOYSA-N
MW266.30 g/mol
LogP-0.67
Rot. Bonds6

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

3-[(2-oxo-3H-1,3-thiazol-4-yl)methylsulfamoyl]propanoic acid (PubChem CID 106379574) has the molecular formula C7H10N2O5S2 and a molecular weight of 266.30 g/mol. Its IUPAC name is 3-[(2-oxo-3H-1,3-thiazol-4-yl)methylsulfamoyl]propanoic acid.

Molecular Properties

Compound Name3-[(2-oxo-3H-1,3-thiazol-4-yl)methylsulfamoyl]propanoic acid
PubChem CID106379574
Molecular FormulaC7H10N2O5S2
Molecular Weight266.30 g/mol
Exact Mass266.00
IUPAC Name3-[(2-oxo-3H-1,3-thiazol-4-yl)methylsulfamoyl]propanoic acid
SMILESO=C(O)CCS(=O)(=O)NCc1csc(=O)[nH]1
InChIInChI=1S/C7H10N2O5S2/c10-6(11)1-2-16(13,14)8-3-5-4-15-7(12)9-5/h4,8H,1-3H2,(H,9,12)(H,10,11)
InChIKeyAPRCHQTWHLLKEP-UHFFFAOYSA-N
XLogP-0.67
TPSA116.33 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
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
2-[(2-oxo-3H-1,3-thiazol-4-yl)methylsulfamoyl]propanoic acid
CID 106379587
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
2-hydroxy-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]ethanesulfonamide
CID 106382695
3-hydroxy-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]propane-1-sulfonamide
CID 106383784
4-hydroxy-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]butane-1-sulfonamide
CID 106383788
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 3-[(2-oxo-3H-1,3-thiazol-4-yl)methylsulfamoyl]propanoic acid?
The IUPAC name of 3-[(2-oxo-3H-1,3-thiazol-4-yl)methylsulfamoyl]propanoic acid (CID 106379574) is 3-[(2-oxo-3H-1,3-thiazol-4-yl)methylsulfamoyl]propanoic acid.
What is the SMILES notation for 3-[(2-oxo-3H-1,3-thiazol-4-yl)methylsulfamoyl]propanoic acid?
The canonical SMILES for 3-[(2-oxo-3H-1,3-thiazol-4-yl)methylsulfamoyl]propanoic acid is O=C(O)CCS(=O)(=O)NCc1csc(=O)[nH]1.
What is the InChIKey of 3-[(2-oxo-3H-1,3-thiazol-4-yl)methylsulfamoyl]propanoic acid?
The InChIKey is APRCHQTWHLLKEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O5S2/c10-6(11)1-2-16(13,14)8-3-5-4-15-7(12)9-5/h4,8H,1-3H2,(H,9,12)(H,10,11).
What are the key properties of 3-[(2-oxo-3H-1,3-thiazol-4-yl)methylsulfamoyl]propanoic acid?
3-[(2-oxo-3H-1,3-thiazol-4-yl)methylsulfamoyl]propanoic acid has a molecular weight of 266.30 g/mol, XLogP of -0.67, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-oxo-3H-1,3-thiazol-4-yl)methylsulfamoyl]propanoic acid is sourced from PubChem (CID 106379574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).