3-[2-(1,2,4-triazol-1-yl)acetyl]-1,3-thiazolidine-4-carboxylic acid

C8H10N4O3S — CID 43211292

IUPAC3-[2-(1,2,4-triazol-1-yl)acetyl]-1,3-thiazolidine-4-carboxylic acid
SMILESO=C(O)C1CSCN1C(=O)Cn1cncn1
InChIInChI=1S/C8H10N4O3S/c13-7(1-11-4-9-3-10-11)12-5-16-2-6(12)8(14)15/h3-4,6H,1-2,5H2,(H,14,15)
InChIKeyPDPFKVMIPLCOMM-UHFFFAOYSA-N
MW242.26 g/mol
LogP-0.74
Rot. Bonds3

About 3-[2-(1,2,4-triazol-1-yl)acetyl]-1,3-thiazolidine-4-carboxylic acid

3-[2-(1,2,4-triazol-1-yl)acetyl]-1,3-thiazolidine-4-carboxylic acid (PubChem CID 43211292) has the molecular formula C8H10N4O3S and a molecular weight of 242.26 g/mol. Its IUPAC name is 3-[2-(1,2,4-triazol-1-yl)acetyl]-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name3-[2-(1,2,4-triazol-1-yl)acetyl]-1,3-thiazolidine-4-carboxylic acid
PubChem CID43211292
Molecular FormulaC8H10N4O3S
Molecular Weight242.26 g/mol
Exact Mass242.05
IUPAC Name3-[2-(1,2,4-triazol-1-yl)acetyl]-1,3-thiazolidine-4-carboxylic acid
SMILESO=C(O)C1CSCN1C(=O)Cn1cncn1
InChIInChI=1S/C8H10N4O3S/c13-7(1-11-4-9-3-10-11)12-5-16-2-6(12)8(14)15/h3-4,6H,1-2,5H2,(H,14,15)
InChIKeyPDPFKVMIPLCOMM-UHFFFAOYSA-N
XLogP-0.74
TPSA88.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.26
LogP ≤ 5-0.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-oxo-2-(4H-1,2,4-triazol-4-ylimino)-1,3-thiazolan-3-yl]acetic acid
CID 5524823
2-[4-oxo-2-(1,2,4-triazol-4-ylimino)-1,3-thiazolidin-3-yl]acetic Acid
CID 1485047
2-[(2E)-4-oxo-2-(1,2,4-triazol-4-ylimino)-1,3-thiazolidin-3-yl]acetic acid
CID 5524822
3-[2-(Tetrazol-1-yl)acetyl]-1,3-thiazolidine-4-carboxylic acid
CID 24710137
(4R)-3-[2-(tetrazol-1-yl)acetyl]-1,3-thiazolidine-4-carboxylic acid
CID 28214219
(2R)-4-methylsulfanyl-2-[[2-(1,2,4-triazol-1-yl)acetyl]amino]butanoic acid
CID 28789008
(2S)-4-methylsulfanyl-2-[[2-(1,2,4-triazol-1-yl)acetyl]amino]butanoic acid
CID 28789010
(4R)-3-[3-(1,2,4-triazol-1-yl)propanoyl]-1,3-thiazolidine-4-carboxylic acid
CID 28791237
(4R)-3-[2-(1,2,4-triazol-1-yl)acetyl]-1,3-thiazolidine-4-carboxylic acid
CID 28791269
4-Methylsulfanyl-2-[2-(1,2,4-triazol-1-yl)propanoylamino]butanoic acid
CID 43210982
4-Methylsulfanyl-2-[[2-(1,2,4-triazol-1-yl)acetyl]amino]butanoic acid
CID 43210991
3-[2-(1,2,4-Triazol-1-yl)propanoyl]-1,3-thiazolidine-4-carboxylic acid
CID 43211283

Frequently Asked Questions

What is the IUPAC name of 3-[2-(1,2,4-triazol-1-yl)acetyl]-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of 3-[2-(1,2,4-triazol-1-yl)acetyl]-1,3-thiazolidine-4-carboxylic acid (CID 43211292) is 3-[2-(1,2,4-triazol-1-yl)acetyl]-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for 3-[2-(1,2,4-triazol-1-yl)acetyl]-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for 3-[2-(1,2,4-triazol-1-yl)acetyl]-1,3-thiazolidine-4-carboxylic acid is O=C(O)C1CSCN1C(=O)Cn1cncn1.
What is the InChIKey of 3-[2-(1,2,4-triazol-1-yl)acetyl]-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is PDPFKVMIPLCOMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4O3S/c13-7(1-11-4-9-3-10-11)12-5-16-2-6(12)8(14)15/h3-4,6H,1-2,5H2,(H,14,15).
What are the key properties of 3-[2-(1,2,4-triazol-1-yl)acetyl]-1,3-thiazolidine-4-carboxylic acid?
3-[2-(1,2,4-triazol-1-yl)acetyl]-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 242.26 g/mol, XLogP of -0.74, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(1,2,4-triazol-1-yl)acetyl]-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 43211292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).