potassium (2S,3S)-3-[[2-(2-formamido-1,3-thiazol-4-yl)acetyl]amino]-2-methyl-4-oxoazetidine-1-sulfonate

C10H11KN4O6S2 — CID 23684789

IUPACpotassium (2S,3S)-3-[[2-(2-formamido-1,3-thiazol-4-yl)acetyl]amino]-2-methyl-4-oxoazetidine-1-sulfonate
SMILESC[C@H]1[C@H](NC(=O)Cc2csc(NC=O)n2)C(=O)N1S(=O)(=O)[O-].[K+]
InChIInChI=1S/C10H12N4O6S2.K/c1-5-8(9(17)14(5)22(18,19)20)13-7(16)2-6-3-21-10(12-6)11-4-15;/h3-5,8H,2H2,1H3,(H,13,16)(H,11,12,15)(H,18,19,20);/q;+1/p-1/t5-,8-;/m0./s1
InChIKeyIUJIIGDQUMEJDT-XMLTWROESA-M
MW386.45 g/mol
LogP-4.57
Rot. Bonds6

About potassium (2S,3S)-3-[[2-(2-formamido-1,3-thiazol-4-yl)acetyl]amino]-2-methyl-4-oxoazetidine-1-sulfonate

potassium (2S,3S)-3-[[2-(2-formamido-1,3-thiazol-4-yl)acetyl]amino]-2-methyl-4-oxoazetidine-1-sulfonate (PubChem CID 23684789) has the molecular formula C10H11KN4O6S2 and a molecular weight of 386.45 g/mol. Its IUPAC name is potassium (2S,3S)-3-[[2-(2-formamido-1,3-thiazol-4-yl)acetyl]amino]-2-methyl-4-oxoazetidine-1-sulfonate.

Molecular Properties

Compound Namepotassium (2S,3S)-3-[[2-(2-formamido-1,3-thiazol-4-yl)acetyl]amino]-2-methyl-4-oxoazetidine-1-sulfonate
PubChem CID23684789
Molecular FormulaC10H11KN4O6S2
Molecular Weight386.45 g/mol
Exact Mass385.98
IUPAC Namepotassium (2S,3S)-3-[[2-(2-formamido-1,3-thiazol-4-yl)acetyl]amino]-2-methyl-4-oxoazetidine-1-sulfonate
SMILESC[C@H]1[C@H](NC(=O)Cc2csc(NC=O)n2)C(=O)N1S(=O)(=O)[O-].[K+]
InChIInChI=1S/C10H12N4O6S2.K/c1-5-8(9(17)14(5)22(18,19)20)13-7(16)2-6-3-21-10(12-6)11-4-15;/h3-5,8H,2H2,1H3,(H,13,16)(H,11,12,15)(H,18,19,20);/q;+1/p-1/t5-,8-;/m0./s1
InChIKeyIUJIIGDQUMEJDT-XMLTWROESA-M
XLogP-4.57
TPSA148.60 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.45
LogP ≤ 5-4.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Analyze potassium (2S,3S)-3-[[2-(2-formamido-1,3-thiazol-4-yl)acetyl]amino]-2-methyl-4-oxoazetidine-1-sulfonate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of potassium (2S,3S)-3-[[2-(2-formamido-1,3-thiazol-4-yl)acetyl]amino]-2-methyl-4-oxoazetidine-1-sulfonate?
The IUPAC name of potassium (2S,3S)-3-[[2-(2-formamido-1,3-thiazol-4-yl)acetyl]amino]-2-methyl-4-oxoazetidine-1-sulfonate (CID 23684789) is potassium (2S,3S)-3-[[2-(2-formamido-1,3-thiazol-4-yl)acetyl]amino]-2-methyl-4-oxoazetidine-1-sulfonate.
What is the SMILES notation for potassium (2S,3S)-3-[[2-(2-formamido-1,3-thiazol-4-yl)acetyl]amino]-2-methyl-4-oxoazetidine-1-sulfonate?
The canonical SMILES for potassium (2S,3S)-3-[[2-(2-formamido-1,3-thiazol-4-yl)acetyl]amino]-2-methyl-4-oxoazetidine-1-sulfonate is C[C@H]1[C@H](NC(=O)Cc2csc(NC=O)n2)C(=O)N1S(=O)(=O)[O-].[K+].
What is the InChIKey of potassium (2S,3S)-3-[[2-(2-formamido-1,3-thiazol-4-yl)acetyl]amino]-2-methyl-4-oxoazetidine-1-sulfonate?
The InChIKey is IUJIIGDQUMEJDT-XMLTWROESA-M. The full InChI is InChI=1S/C10H12N4O6S2.K/c1-5-8(9(17)14(5)22(18,19)20)13-7(16)2-6-3-21-10(12-6)11-4-15;/h3-5,8H,2H2,1H3,(H,13,16)(H,11,12,15)(H,18,19,20);/q;+1/p-1/t5-,8-;/m0./s1.
What are the key properties of potassium (2S,3S)-3-[[2-(2-formamido-1,3-thiazol-4-yl)acetyl]amino]-2-methyl-4-oxoazetidine-1-sulfonate?
potassium (2S,3S)-3-[[2-(2-formamido-1,3-thiazol-4-yl)acetyl]amino]-2-methyl-4-oxoazetidine-1-sulfonate has a molecular weight of 386.45 g/mol, XLogP of -4.57, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for potassium (2S,3S)-3-[[2-(2-formamido-1,3-thiazol-4-yl)acetyl]amino]-2-methyl-4-oxoazetidine-1-sulfonate is sourced from PubChem (CID 23684789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).