3-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]-1,3-thiazolidine-4-carboxylic acid

C8H11N3O4S2 — CID 54929580

IUPAC3-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]-1,3-thiazolidine-4-carboxylic acid
SMILESCc1[nH]ncc1S(=O)(=O)N1CSCC1C(=O)O
InChIInChI=1S/C8H11N3O4S2/c1-5-7(2-9-10-5)17(14,15)11-4-16-3-6(11)8(12)13/h2,6H,3-4H2,1H3,(H,9,10)(H,12,13)
InChIKeyCOEODBBVBSIBLW-UHFFFAOYSA-N
MW277.33 g/mol
LogP-0.13
Rot. Bonds3

About 3-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]-1,3-thiazolidine-4-carboxylic acid

3-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]-1,3-thiazolidine-4-carboxylic acid (PubChem CID 54929580) has the molecular formula C8H11N3O4S2 and a molecular weight of 277.33 g/mol. Its IUPAC name is 3-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name3-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]-1,3-thiazolidine-4-carboxylic acid
PubChem CID54929580
Molecular FormulaC8H11N3O4S2
Molecular Weight277.33 g/mol
Exact Mass277.02
IUPAC Name3-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]-1,3-thiazolidine-4-carboxylic acid
SMILESCc1[nH]ncc1S(=O)(=O)N1CSCC1C(=O)O
InChIInChI=1S/C8H11N3O4S2/c1-5-7(2-9-10-5)17(14,15)11-4-16-3-6(11)8(12)13/h2,6H,3-4H2,1H3,(H,9,10)(H,12,13)
InChIKeyCOEODBBVBSIBLW-UHFFFAOYSA-N
XLogP-0.13
TPSA103.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.33
LogP ≤ 5-0.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of 3-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]-1,3-thiazolidine-4-carboxylic acid (CID 54929580) is 3-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for 3-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for 3-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]-1,3-thiazolidine-4-carboxylic acid is Cc1[nH]ncc1S(=O)(=O)N1CSCC1C(=O)O.
What is the InChIKey of 3-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is COEODBBVBSIBLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O4S2/c1-5-7(2-9-10-5)17(14,15)11-4-16-3-6(11)8(12)13/h2,6H,3-4H2,1H3,(H,9,10)(H,12,13).
What are the key properties of 3-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]-1,3-thiazolidine-4-carboxylic acid?
3-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 277.33 g/mol, XLogP of -0.13, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 54929580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).