3-(3-amino-1H-1,2,4-triazole-5-carbonyl)-1,3-thiazolidine-4-carboxylic acid

C7H9N5O3S — CID 62794715

IUPAC3-(3-amino-1H-1,2,4-triazole-5-carbonyl)-1,3-thiazolidine-4-carboxylic acid
SMILESNc1n[nH]c(C(=O)N2CSCC2C(=O)O)n1
InChIInChI=1S/C7H9N5O3S/c8-7-9-4(10-11-7)5(13)12-2-16-1-3(12)6(14)15/h3H,1-2H2,(H,14,15)(H3,8,9,10,11)
InChIKeySIYJUOSLVAOQLR-UHFFFAOYSA-N
MW243.25 g/mol
LogP-1.01
Rot. Bonds2

About 3-(3-amino-1H-1,2,4-triazole-5-carbonyl)-1,3-thiazolidine-4-carboxylic acid

3-(3-amino-1H-1,2,4-triazole-5-carbonyl)-1,3-thiazolidine-4-carboxylic acid (PubChem CID 62794715) has the molecular formula C7H9N5O3S and a molecular weight of 243.25 g/mol. Its IUPAC name is 3-(3-amino-1H-1,2,4-triazole-5-carbonyl)-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name3-(3-amino-1H-1,2,4-triazole-5-carbonyl)-1,3-thiazolidine-4-carboxylic acid
PubChem CID62794715
Molecular FormulaC7H9N5O3S
Molecular Weight243.25 g/mol
Exact Mass243.04
IUPAC Name3-(3-amino-1H-1,2,4-triazole-5-carbonyl)-1,3-thiazolidine-4-carboxylic acid
SMILESNc1n[nH]c(C(=O)N2CSCC2C(=O)O)n1
InChIInChI=1S/C7H9N5O3S/c8-7-9-4(10-11-7)5(13)12-2-16-1-3(12)6(14)15/h3H,1-2H2,(H,14,15)(H3,8,9,10,11)
InChIKeySIYJUOSLVAOQLR-UHFFFAOYSA-N
XLogP-1.01
TPSA125.20 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.25
LogP ≤ 5-1.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 3-(3-amino-1H-1,2,4-triazole-5-carbonyl)-1,3-thiazolidine-4-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-1-(3-amino-1H-1,2,4-triazole-5-carbonyl)piperidine-2-carboxylic acid
CID 79034625
1-(3-amino-1H-1,2,4-triazole-5-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 62792655
3-(2-amino-1,3-thiazole-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 62789131
3-(2-amino-4-methyl-1,3-thiazole-5-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 62792239
3-(6-oxo-1H-pyridazine-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 43359284
1-(3-amino-1H-1,2,4-triazole-5-carbonyl)piperidine-4-carboxylic acid
CID 62793007
1-(3-amino-1H-1,2,4-triazole-5-carbonyl)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-2-carboxylic acid
CID 66471886
(4R)-3-[2-(aminomethyl)-1,3-thiazole-4-carbonyl]-1,3-thiazolidine-4-carboxylic acid
CID 66376704
(4R)-3-(2,3,4,5,6-pentamethylbenzoyl)-1,3-thiazolidine-4-carboxylic acid
CID 61143747
(4S)-3-benzoyl-1,3-thiazolidine-4-carboxylic acid
CID 11882190
(4R)-3-(3-ethylthiophene-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 61389230
1-(3-amino-1H-1,2,4-triazole-5-carbonyl)piperidine-2-carboxamide
CID 62806690

Frequently Asked Questions

What is the IUPAC name of 3-(3-amino-1H-1,2,4-triazole-5-carbonyl)-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of 3-(3-amino-1H-1,2,4-triazole-5-carbonyl)-1,3-thiazolidine-4-carboxylic acid (CID 62794715) is 3-(3-amino-1H-1,2,4-triazole-5-carbonyl)-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for 3-(3-amino-1H-1,2,4-triazole-5-carbonyl)-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for 3-(3-amino-1H-1,2,4-triazole-5-carbonyl)-1,3-thiazolidine-4-carboxylic acid is Nc1n[nH]c(C(=O)N2CSCC2C(=O)O)n1.
What is the InChIKey of 3-(3-amino-1H-1,2,4-triazole-5-carbonyl)-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is SIYJUOSLVAOQLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N5O3S/c8-7-9-4(10-11-7)5(13)12-2-16-1-3(12)6(14)15/h3H,1-2H2,(H,14,15)(H3,8,9,10,11).
What are the key properties of 3-(3-amino-1H-1,2,4-triazole-5-carbonyl)-1,3-thiazolidine-4-carboxylic acid?
3-(3-amino-1H-1,2,4-triazole-5-carbonyl)-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 243.25 g/mol, XLogP of -1.01, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-amino-1H-1,2,4-triazole-5-carbonyl)-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 62794715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).