(2S)-2-hydroxy-4-(1,2,5-thiadiazole-3-carbonylamino)butanoic acid

C7H9N3O4S — CID 107834931

IUPAC(2S)-2-hydroxy-4-(1,2,5-thiadiazole-3-carbonylamino)butanoic acid
SMILESO=C(NCC[C@H](O)C(=O)O)c1cnsn1
InChIInChI=1S/C7H9N3O4S/c11-5(7(13)14)1-2-8-6(12)4-3-9-15-10-4/h3,5,11H,1-2H2,(H,8,12)(H,13,14)/t5-/m0/s1
InChIKeyCGLIOGWZPZTGMT-YFKPBYRVSA-N
MW231.23 g/mol
LogP-0.90
Rot. Bonds5

About (2S)-2-hydroxy-4-(1,2,5-thiadiazole-3-carbonylamino)butanoic acid

(2S)-2-hydroxy-4-(1,2,5-thiadiazole-3-carbonylamino)butanoic acid (PubChem CID 107834931) has the molecular formula C7H9N3O4S and a molecular weight of 231.23 g/mol. Its IUPAC name is (2S)-2-hydroxy-4-(1,2,5-thiadiazole-3-carbonylamino)butanoic acid.

Molecular Properties

Compound Name(2S)-2-hydroxy-4-(1,2,5-thiadiazole-3-carbonylamino)butanoic acid
PubChem CID107834931
Molecular FormulaC7H9N3O4S
Molecular Weight231.23 g/mol
Exact Mass231.03
IUPAC Name(2S)-2-hydroxy-4-(1,2,5-thiadiazole-3-carbonylamino)butanoic acid
SMILESO=C(NCC[C@H](O)C(=O)O)c1cnsn1
InChIInChI=1S/C7H9N3O4S/c11-5(7(13)14)1-2-8-6(12)4-3-9-15-10-4/h3,5,11H,1-2H2,(H,8,12)(H,13,14)/t5-/m0/s1
InChIKeyCGLIOGWZPZTGMT-YFKPBYRVSA-N
XLogP-0.90
TPSA112.41 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.23
LogP ≤ 5-0.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze (2S)-2-hydroxy-4-(1,2,5-thiadiazole-3-carbonylamino)butanoic 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

2-[(1,2,5-thiadiazole-3-carbonylamino)methyl]pentanoic acid
CID 65219482
2-hydroxy-4-[(5-methylpyrazine-2-carbonyl)amino]butanoic acid
CID 107831683
(2S)-2-hydroxy-4-(thiadiazole-5-carbonylamino)butanoic acid
CID 107834372
2-hydroxy-4-(thiadiazole-5-carbonylamino)butanoic acid
CID 107832176
2-methoxy-3-(1,2,5-thiadiazole-3-carbonylamino)propanoic acid
CID 106107261
(2S)-2-hydroxy-4-(pyridine-4-carbonylamino)butanoic acid
CID 107834157
2-[[2-(1,2,5-thiadiazole-3-carbonylamino)acetyl]amino]acetic acid
CID 43522579
N-(3-methyl-2-oxobutyl)-1,2,5-thiadiazole-3-carboxamide
CID 91648581
(2S)-2-(1,2,5-thiadiazole-3-carbonylamino)pentanedioic acid
CID 61153025
(2S)-4-[(5-cyanopyridine-2-carbonyl)amino]-2-hydroxybutanoic acid
CID 107834949
2-hydroxy-4-[(6-oxo-1H-pyridazine-3-carbonyl)amino]butanoic acid
CID 107832681
N-(2-chloroprop-2-enyl)-1,2,5-thiadiazole-3-carboxamide
CID 115636693

Frequently Asked Questions

What is the IUPAC name of (2S)-2-hydroxy-4-(1,2,5-thiadiazole-3-carbonylamino)butanoic acid?
The IUPAC name of (2S)-2-hydroxy-4-(1,2,5-thiadiazole-3-carbonylamino)butanoic acid (CID 107834931) is (2S)-2-hydroxy-4-(1,2,5-thiadiazole-3-carbonylamino)butanoic acid.
What is the SMILES notation for (2S)-2-hydroxy-4-(1,2,5-thiadiazole-3-carbonylamino)butanoic acid?
The canonical SMILES for (2S)-2-hydroxy-4-(1,2,5-thiadiazole-3-carbonylamino)butanoic acid is O=C(NCC[C@H](O)C(=O)O)c1cnsn1.
What is the InChIKey of (2S)-2-hydroxy-4-(1,2,5-thiadiazole-3-carbonylamino)butanoic acid?
The InChIKey is CGLIOGWZPZTGMT-YFKPBYRVSA-N. The full InChI is InChI=1S/C7H9N3O4S/c11-5(7(13)14)1-2-8-6(12)4-3-9-15-10-4/h3,5,11H,1-2H2,(H,8,12)(H,13,14)/t5-/m0/s1.
What are the key properties of (2S)-2-hydroxy-4-(1,2,5-thiadiazole-3-carbonylamino)butanoic acid?
(2S)-2-hydroxy-4-(1,2,5-thiadiazole-3-carbonylamino)butanoic acid has a molecular weight of 231.23 g/mol, XLogP of -0.90, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-hydroxy-4-(1,2,5-thiadiazole-3-carbonylamino)butanoic acid is sourced from PubChem (CID 107834931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).