potassium 3-[4-(diethylaminodiazenyl)phenyl]sulfonyl-1,3-thiazolidine-2-carboxylate

C14H19KN4O4S2 — CID 23711880

IUPACpotassium 3-[4-(diethylaminodiazenyl)phenyl]sulfonyl-1,3-thiazolidine-2-carboxylate
SMILESCCN(CC)/N=N/c1ccc(S(=O)(=O)N2CCSC2C(=O)[O-])cc1.[K+]
InChIInChI=1S/C14H20N4O4S2.K/c1-3-17(4-2)16-15-11-5-7-12(8-6-11)24(21,22)18-9-10-23-13(18)14(19)20;/h5-8,13H,3-4,9-10H2,1-2H3,(H,19,20);/q;+1/p-1/b16-15+;
InChIKeyOQJLUNDMEMYBOE-GEEYTBSJSA-M
MW410.56 g/mol
LogP-2.16
Rot. Bonds7

About potassium 3-[4-(diethylaminodiazenyl)phenyl]sulfonyl-1,3-thiazolidine-2-carboxylate

potassium 3-[4-(diethylaminodiazenyl)phenyl]sulfonyl-1,3-thiazolidine-2-carboxylate (PubChem CID 23711880) has the molecular formula C14H19KN4O4S2 and a molecular weight of 410.56 g/mol. Its IUPAC name is potassium 3-[4-(diethylaminodiazenyl)phenyl]sulfonyl-1,3-thiazolidine-2-carboxylate.

Molecular Properties

Compound Namepotassium 3-[4-(diethylaminodiazenyl)phenyl]sulfonyl-1,3-thiazolidine-2-carboxylate
PubChem CID23711880
Molecular FormulaC14H19KN4O4S2
Molecular Weight410.56 g/mol
Exact Mass410.05
IUPAC Namepotassium 3-[4-(diethylaminodiazenyl)phenyl]sulfonyl-1,3-thiazolidine-2-carboxylate
SMILESCCN(CC)/N=N/c1ccc(S(=O)(=O)N2CCSC2C(=O)[O-])cc1.[K+]
InChIInChI=1S/C14H20N4O4S2.K/c1-3-17(4-2)16-15-11-5-7-12(8-6-11)24(21,22)18-9-10-23-13(18)14(19)20;/h5-8,13H,3-4,9-10H2,1-2H3,(H,19,20);/q;+1/p-1/b16-15+;
InChIKeyOQJLUNDMEMYBOE-GEEYTBSJSA-M
XLogP-2.16
TPSA105.47 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.56
LogP ≤ 5-2.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze potassium 3-[4-(diethylaminodiazenyl)phenyl]sulfonyl-1,3-thiazolidine-2-carboxylate 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

(2S)-3-[4-(diethylaminodiazenyl)phenyl]sulfonyl-1,3-thiazolidine-2-carboxylic acid
CID 7374755
3-[4-(diethylaminodiazenyl)phenyl]sulfonyl-1,3-thiazolidine-2-carboxylic acid
CID 3112808
1-[(2S)-3-(4-phenylphenyl)sulfonyl-1,3-thiazolidin-2-yl]ethanone
CID 146615097
methyl 3-(4-butoxyphenyl)sulfonyl-1,3-thiazolidine-2-carboxylate
CID 3729057
(2S)-3-(4-chlorophenyl)sulfonyl-1,3-thiazolidine-2-carbohydrazide
CID 6930227
3-(4-methoxyphenyl)sulfonyl-1,3-thiazinane-2-carboxamide
CID 18411977
2-[3-(benzenesulfonyl)-1,3-thiazolidin-2-yl]acetic acid
CID 71092624
N-[(2,6-difluorophenyl)methyl]-3-(4-phenylphenyl)sulfonyl-1,3-thiazolidine-2-carboxamide;molecular hydrogen
CID 167553021
(2S)-3-naphthalen-2-ylsulfonyl-1,3-thiazolidine-2-carboxylic acid
CID 799925
N-[(2-methoxyphenyl)methyl]-3-(4-phenylphenyl)sulfonyl-1,3-thiazolidine-2-carboxamide
CID 10217272
(2S)-2-methyl-3-(4-methylphenyl)sulfonyl-1,3-thiazolidine
CID 852148
N-[(1R)-3-hydroxy-1-phenylpropyl]-3-(4-phenylphenyl)sulfonyl-1,3-thiazolidine-2-carboxamide
CID 68622983

Frequently Asked Questions

What is the IUPAC name of potassium 3-[4-(diethylaminodiazenyl)phenyl]sulfonyl-1,3-thiazolidine-2-carboxylate?
The IUPAC name of potassium 3-[4-(diethylaminodiazenyl)phenyl]sulfonyl-1,3-thiazolidine-2-carboxylate (CID 23711880) is potassium 3-[4-(diethylaminodiazenyl)phenyl]sulfonyl-1,3-thiazolidine-2-carboxylate.
What is the SMILES notation for potassium 3-[4-(diethylaminodiazenyl)phenyl]sulfonyl-1,3-thiazolidine-2-carboxylate?
The canonical SMILES for potassium 3-[4-(diethylaminodiazenyl)phenyl]sulfonyl-1,3-thiazolidine-2-carboxylate is CCN(CC)/N=N/c1ccc(S(=O)(=O)N2CCSC2C(=O)[O-])cc1.[K+].
What is the InChIKey of potassium 3-[4-(diethylaminodiazenyl)phenyl]sulfonyl-1,3-thiazolidine-2-carboxylate?
The InChIKey is OQJLUNDMEMYBOE-GEEYTBSJSA-M. The full InChI is InChI=1S/C14H20N4O4S2.K/c1-3-17(4-2)16-15-11-5-7-12(8-6-11)24(21,22)18-9-10-23-13(18)14(19)20;/h5-8,13H,3-4,9-10H2,1-2H3,(H,19,20);/q;+1/p-1/b16-15+;.
What are the key properties of potassium 3-[4-(diethylaminodiazenyl)phenyl]sulfonyl-1,3-thiazolidine-2-carboxylate?
potassium 3-[4-(diethylaminodiazenyl)phenyl]sulfonyl-1,3-thiazolidine-2-carboxylate has a molecular weight of 410.56 g/mol, XLogP of -2.16, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 3-[4-(diethylaminodiazenyl)phenyl]sulfonyl-1,3-thiazolidine-2-carboxylate is sourced from PubChem (CID 23711880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).