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

C8H12N2O5S2 — CID 106379597

IUPAC4-[(2-oxo-3H-1,3-thiazol-4-yl)methylsulfamoyl]butanoic acid
SMILESO=C(O)CCCS(=O)(=O)NCc1csc(=O)[nH]1
InChIInChI=1S/C8H12N2O5S2/c11-7(12)2-1-3-17(14,15)9-4-6-5-16-8(13)10-6/h5,9H,1-4H2,(H,10,13)(H,11,12)
InChIKeyWCZTTZGMTCJPMB-UHFFFAOYSA-N
MW280.33 g/mol
LogP-0.28
Rot. Bonds7

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

4-[(2-oxo-3H-1,3-thiazol-4-yl)methylsulfamoyl]butanoic acid (PubChem CID 106379597) has the molecular formula C8H12N2O5S2 and a molecular weight of 280.33 g/mol. Its IUPAC name is 4-[(2-oxo-3H-1,3-thiazol-4-yl)methylsulfamoyl]butanoic acid.

Molecular Properties

Compound Name4-[(2-oxo-3H-1,3-thiazol-4-yl)methylsulfamoyl]butanoic acid
PubChem CID106379597
Molecular FormulaC8H12N2O5S2
Molecular Weight280.33 g/mol
Exact Mass280.02
IUPAC Name4-[(2-oxo-3H-1,3-thiazol-4-yl)methylsulfamoyl]butanoic acid
SMILESO=C(O)CCCS(=O)(=O)NCc1csc(=O)[nH]1
InChIInChI=1S/C8H12N2O5S2/c11-7(12)2-1-3-17(14,15)9-4-6-5-16-8(13)10-6/h5,9H,1-4H2,(H,10,13)(H,11,12)
InChIKeyWCZTTZGMTCJPMB-UHFFFAOYSA-N
XLogP-0.28
TPSA116.33 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 5-0.28
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
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-hydroxy-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]butane-1-sulfonamide
CID 106383788

Frequently Asked Questions

What is the IUPAC name of 4-[(2-oxo-3H-1,3-thiazol-4-yl)methylsulfamoyl]butanoic acid?
The IUPAC name of 4-[(2-oxo-3H-1,3-thiazol-4-yl)methylsulfamoyl]butanoic acid (CID 106379597) is 4-[(2-oxo-3H-1,3-thiazol-4-yl)methylsulfamoyl]butanoic acid.
What is the SMILES notation for 4-[(2-oxo-3H-1,3-thiazol-4-yl)methylsulfamoyl]butanoic acid?
The canonical SMILES for 4-[(2-oxo-3H-1,3-thiazol-4-yl)methylsulfamoyl]butanoic acid is O=C(O)CCCS(=O)(=O)NCc1csc(=O)[nH]1.
What is the InChIKey of 4-[(2-oxo-3H-1,3-thiazol-4-yl)methylsulfamoyl]butanoic acid?
The InChIKey is WCZTTZGMTCJPMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O5S2/c11-7(12)2-1-3-17(14,15)9-4-6-5-16-8(13)10-6/h5,9H,1-4H2,(H,10,13)(H,11,12).
What are the key properties of 4-[(2-oxo-3H-1,3-thiazol-4-yl)methylsulfamoyl]butanoic acid?
4-[(2-oxo-3H-1,3-thiazol-4-yl)methylsulfamoyl]butanoic acid has a molecular weight of 280.33 g/mol, XLogP of -0.28, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-oxo-3H-1,3-thiazol-4-yl)methylsulfamoyl]butanoic acid is sourced from PubChem (CID 106379597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).