3-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonylamino]propanoic acid

C7H10N2O5S2 — CID 43132257

IUPAC3-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonylamino]propanoic acid
SMILESCc1[nH]c(=O)sc1S(=O)(=O)NCCC(=O)O
InChIInChI=1S/C7H10N2O5S2/c1-4-6(15-7(12)9-4)16(13,14)8-3-2-5(10)11/h8H,2-3H2,1H3,(H,9,12)(H,10,11)
InChIKeyOOKYQFMHQQBYNU-UHFFFAOYSA-N
MW266.30 g/mol
LogP-0.50
Rot. Bonds5

About 3-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonylamino]propanoic acid

3-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonylamino]propanoic acid (PubChem CID 43132257) has the molecular formula C7H10N2O5S2 and a molecular weight of 266.30 g/mol. Its IUPAC name is 3-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonylamino]propanoic acid.

Molecular Properties

Compound Name3-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonylamino]propanoic acid
PubChem CID43132257
Molecular FormulaC7H10N2O5S2
Molecular Weight266.30 g/mol
Exact Mass266.00
IUPAC Name3-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonylamino]propanoic acid
SMILESCc1[nH]c(=O)sc1S(=O)(=O)NCCC(=O)O
InChIInChI=1S/C7H10N2O5S2/c1-4-6(15-7(12)9-4)16(13,14)8-3-2-5(10)11/h8H,2-3H2,1H3,(H,9,12)(H,10,11)
InChIKeyOOKYQFMHQQBYNU-UHFFFAOYSA-N
XLogP-0.50
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 ≤ 5-0.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonylamino]propanoic acid?
The IUPAC name of 3-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonylamino]propanoic acid (CID 43132257) is 3-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonylamino]propanoic acid.
What is the SMILES notation for 3-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonylamino]propanoic acid?
The canonical SMILES for 3-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonylamino]propanoic acid is Cc1[nH]c(=O)sc1S(=O)(=O)NCCC(=O)O.
What is the InChIKey of 3-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonylamino]propanoic acid?
The InChIKey is OOKYQFMHQQBYNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O5S2/c1-4-6(15-7(12)9-4)16(13,14)8-3-2-5(10)11/h8H,2-3H2,1H3,(H,9,12)(H,10,11).
What are the key properties of 3-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonylamino]propanoic acid?
3-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonylamino]propanoic acid has a molecular weight of 266.30 g/mol, XLogP of -0.50, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonylamino]propanoic acid is sourced from PubChem (CID 43132257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).