2-[[1-[(3-chlorophenyl)methyl]triazol-4-yl]methyl]-4-thiomorpholin-4-yl-1,2-thiazolidine 1,1-dioxide

C17H22ClN5O2S2 — CID 53300552

IUPAC2-[[1-[(3-chlorophenyl)methyl]triazol-4-yl]methyl]-4-thiomorpholin-4-yl-1,2-thiazolidine 1,1-dioxide
SMILESO=S1(=O)CC(N2CCSCC2)CN1Cc1cn(Cc2cccc(Cl)c2)nn1
InChIInChI=1S/C17H22ClN5O2S2/c18-15-3-1-2-14(8-15)9-22-10-16(19-20-22)11-23-12-17(13-27(23,24)25)21-4-6-26-7-5-21/h1-3,8,10,17H,4-7,9,11-13H2
InChIKeyCXHOITHMRXWVRA-UHFFFAOYSA-N
MW427.98 g/mol
LogP1.54
Rot. Bonds5

About 2-[[1-[(3-chlorophenyl)methyl]triazol-4-yl]methyl]-4-thiomorpholin-4-yl-1,2-thiazolidine 1,1-dioxide

2-[[1-[(3-chlorophenyl)methyl]triazol-4-yl]methyl]-4-thiomorpholin-4-yl-1,2-thiazolidine 1,1-dioxide (PubChem CID 53300552) has the molecular formula C17H22ClN5O2S2 and a molecular weight of 427.98 g/mol. Its IUPAC name is 2-[[1-[(3-chlorophenyl)methyl]triazol-4-yl]methyl]-4-thiomorpholin-4-yl-1,2-thiazolidine 1,1-dioxide.

Molecular Properties

Compound Name2-[[1-[(3-chlorophenyl)methyl]triazol-4-yl]methyl]-4-thiomorpholin-4-yl-1,2-thiazolidine 1,1-dioxide
PubChem CID53300552
Molecular FormulaC17H22ClN5O2S2
Molecular Weight427.98 g/mol
Exact Mass427.09
IUPAC Name2-[[1-[(3-chlorophenyl)methyl]triazol-4-yl]methyl]-4-thiomorpholin-4-yl-1,2-thiazolidine 1,1-dioxide
SMILESO=S1(=O)CC(N2CCSCC2)CN1Cc1cn(Cc2cccc(Cl)c2)nn1
InChIInChI=1S/C17H22ClN5O2S2/c18-15-3-1-2-14(8-15)9-22-10-16(19-20-22)11-23-12-17(13-27(23,24)25)21-4-6-26-7-5-21/h1-3,8,10,17H,4-7,9,11-13H2
InChIKeyCXHOITHMRXWVRA-UHFFFAOYSA-N
XLogP1.54
TPSA71.33 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.98
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-[[1-[(3-chlorophenyl)methyl]triazol-4-yl]methyl]-4-thiomorpholin-4-yl-1,2-thiazolidine 1,1-dioxide 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-[4-[2-[[1-[(3-chlorophenyl)methyl]triazol-4-yl]methyl]-1,1-dioxo-1,2-thiazolidin-4-yl]piperazin-1-yl]-N,N-dimethylethanamine
CID 53301359
2-[4-[2-[(1-Benzyltriazol-4-yl)methyl]-1,1-dioxo-1,2-thiazolidin-4-yl]piperazin-1-yl]ethanol
CID 53301371
2-[[1-[(4-Chlorophenyl)methyl]triazol-4-yl]methyl]-4-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-1,2-thiazolidine 1,1-dioxide
CID 53300523
4-[4-[(2-Fluorophenyl)methyl]piperazin-1-yl]-2-[[1-[(4-methylphenyl)methyl]triazol-4-yl]methyl]-1,2-thiazolidine 1,1-dioxide
CID 53300525
2-[[1-[(3-Chlorophenyl)methyl]triazol-4-yl]methyl]-4-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-1,2-thiazolidine 1,1-dioxide
CID 53300530
2-[[1-[(4-Chlorophenyl)methyl]triazol-4-yl]methyl]-4-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-1,2-thiazolidine 1,1-dioxide
CID 53300535
2-[[1-[(3,5-Dimethylphenyl)methyl]triazol-4-yl]methyl]-4-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-1,2-thiazolidine 1,1-dioxide
CID 53300538
2-[[1-(3-Chlorobenzyl)triazol-4-yl]methyl]-4-[4-(3-methylbenzyl)piperazino]-1,2-thiazolidine 1,1-dioxide
CID 53300540
2-[(1-Hexyltriazol-4-yl)methyl]-4-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-1,2-thiazolidine 1,1-dioxide
CID 53300541
2-[[1-[(3,5-Dimethylphenyl)methyl]triazol-4-yl]methyl]-4-thiomorpholin-4-yl-1,2-thiazolidine 1,1-dioxide
CID 53300549
4-Thiomorpholin-4-yl-2-[[1-[[4-(trifluoromethyl)phenyl]methyl]triazol-4-yl]methyl]-1,2-thiazolidine 1,1-dioxide
CID 53300550
2-[(1-Benzyltriazol-4-yl)methyl]-4-(4-hexylpiperazin-1-yl)-1,2-thiazolidine 1,1-dioxide
CID 53300555

Frequently Asked Questions

What is the IUPAC name of 2-[[1-[(3-chlorophenyl)methyl]triazol-4-yl]methyl]-4-thiomorpholin-4-yl-1,2-thiazolidine 1,1-dioxide?
The IUPAC name of 2-[[1-[(3-chlorophenyl)methyl]triazol-4-yl]methyl]-4-thiomorpholin-4-yl-1,2-thiazolidine 1,1-dioxide (CID 53300552) is 2-[[1-[(3-chlorophenyl)methyl]triazol-4-yl]methyl]-4-thiomorpholin-4-yl-1,2-thiazolidine 1,1-dioxide.
What is the SMILES notation for 2-[[1-[(3-chlorophenyl)methyl]triazol-4-yl]methyl]-4-thiomorpholin-4-yl-1,2-thiazolidine 1,1-dioxide?
The canonical SMILES for 2-[[1-[(3-chlorophenyl)methyl]triazol-4-yl]methyl]-4-thiomorpholin-4-yl-1,2-thiazolidine 1,1-dioxide is O=S1(=O)CC(N2CCSCC2)CN1Cc1cn(Cc2cccc(Cl)c2)nn1.
What is the InChIKey of 2-[[1-[(3-chlorophenyl)methyl]triazol-4-yl]methyl]-4-thiomorpholin-4-yl-1,2-thiazolidine 1,1-dioxide?
The InChIKey is CXHOITHMRXWVRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22ClN5O2S2/c18-15-3-1-2-14(8-15)9-22-10-16(19-20-22)11-23-12-17(13-27(23,24)25)21-4-6-26-7-5-21/h1-3,8,10,17H,4-7,9,11-13H2.
What are the key properties of 2-[[1-[(3-chlorophenyl)methyl]triazol-4-yl]methyl]-4-thiomorpholin-4-yl-1,2-thiazolidine 1,1-dioxide?
2-[[1-[(3-chlorophenyl)methyl]triazol-4-yl]methyl]-4-thiomorpholin-4-yl-1,2-thiazolidine 1,1-dioxide has a molecular weight of 427.98 g/mol, XLogP of 1.54, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-[(3-chlorophenyl)methyl]triazol-4-yl]methyl]-4-thiomorpholin-4-yl-1,2-thiazolidine 1,1-dioxide is sourced from PubChem (CID 53300552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).