2-[[1-[(3-chlorophenyl)methyl]triazol-4-yl]methyl]-N,N-dimethyl-1,1-dioxo-1,2-thiazolidin-4-amine

C15H20ClN5O2S — CID 53301300

IUPAC2-[[1-[(3-chlorophenyl)methyl]triazol-4-yl]methyl]-N,N-dimethyl-1,1-dioxo-1,2-thiazolidin-4-amine
SMILESCN(C)C1CN(Cc2cn(Cc3cccc(Cl)c3)nn2)S(=O)(=O)C1
InChIInChI=1S/C15H20ClN5O2S/c1-19(2)15-10-21(24(22,23)11-15)9-14-8-20(18-17-14)7-12-4-3-5-13(16)6-12/h3-6,8,15H,7,9-11H2,1-2H3
InChIKeyOQYZCFZGJWERKA-UHFFFAOYSA-N
MW369.88 g/mol
LogP1.06
Rot. Bonds5

About 2-[[1-[(3-chlorophenyl)methyl]triazol-4-yl]methyl]-N,N-dimethyl-1,1-dioxo-1,2-thiazolidin-4-amine

2-[[1-[(3-chlorophenyl)methyl]triazol-4-yl]methyl]-N,N-dimethyl-1,1-dioxo-1,2-thiazolidin-4-amine (PubChem CID 53301300) has the molecular formula C15H20ClN5O2S and a molecular weight of 369.88 g/mol. Its IUPAC name is 2-[[1-[(3-chlorophenyl)methyl]triazol-4-yl]methyl]-N,N-dimethyl-1,1-dioxo-1,2-thiazolidin-4-amine.

Molecular Properties

Compound Name2-[[1-[(3-chlorophenyl)methyl]triazol-4-yl]methyl]-N,N-dimethyl-1,1-dioxo-1,2-thiazolidin-4-amine
PubChem CID53301300
Molecular FormulaC15H20ClN5O2S
Molecular Weight369.88 g/mol
Exact Mass369.10
IUPAC Name2-[[1-[(3-chlorophenyl)methyl]triazol-4-yl]methyl]-N,N-dimethyl-1,1-dioxo-1,2-thiazolidin-4-amine
SMILESCN(C)C1CN(Cc2cn(Cc3cccc(Cl)c3)nn2)S(=O)(=O)C1
InChIInChI=1S/C15H20ClN5O2S/c1-19(2)15-10-21(24(22,23)11-15)9-14-8-20(18-17-14)7-12-4-3-5-13(16)6-12/h3-6,8,15H,7,9-11H2,1-2H3
InChIKeyOQYZCFZGJWERKA-UHFFFAOYSA-N
XLogP1.06
TPSA71.33 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.88
LogP ≤ 51.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[[1-[(3-chlorophenyl)methyl]triazol-4-yl]methyl]-N,N-dimethyl-1,1-dioxo-1,2-thiazolidin-4-amine with MolForge

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Related Compounds

2-[[1-[(3-chlorophenyl)methyl]triazol-4-yl]methyl]-4-(2,5-dihydropyrrol-1-yl)-1,2-thiazolidine 1,1-dioxide
CID 53301398
2-[(1-benzyltriazol-4-yl)methyl]-N-methyl-1,1-dioxo-N-propyl-1,2-thiazolidin-4-amine
CID 53301316
N-ethyl-2-[[1-[(4-fluorophenyl)methyl]triazol-4-yl]methyl]-N-methyl-1,1-dioxo-1,2-thiazolidin-4-amine
CID 53301306
N-[[1-[(3-chlorophenyl)methyl]triazol-4-yl]methyl]cyclopropanamine
CID 66193798
2-[[1-[(4-fluorophenyl)methyl]triazol-4-yl]methyl]-4-(4-methylpiperazin-1-yl)-1,2-thiazolidine 1,1-dioxide
CID 53301341
2-[[1-[(4-fluorophenyl)methyl]triazol-4-yl]methyl]-4-pyrrolidin-1-yl-1,2-thiazolidine 1,1-dioxide
CID 53301401
2-[[1-[(3,5-dimethylphenyl)methyl]triazol-4-yl]methyl]-4-piperidin-1-yl-1,2-thiazolidine 1,1-dioxide
CID 53301415
3-[[1-[(3-chlorophenyl)methyl]triazol-4-yl]methyl]thiolan-3-ol
CID 166241879
1-[(3-chlorophenyl)methyl]-4-[(2-methyl-5-nitroimidazol-1-yl)methyl]triazole
CID 155926378
4-amino-N-[[1-[(3-chlorophenyl)methyl]triazol-4-yl]methyl]benzenesulfonamide
CID 46947083
[1-[(3-chlorophenyl)methyl]triazol-4-yl]methyl benzoate
CID 53230451
1-[1-[(3-chlorophenyl)methyl]triazol-4-yl]ethanol
CID 81444396

Frequently Asked Questions

What is the IUPAC name of 2-[[1-[(3-chlorophenyl)methyl]triazol-4-yl]methyl]-N,N-dimethyl-1,1-dioxo-1,2-thiazolidin-4-amine?
The IUPAC name of 2-[[1-[(3-chlorophenyl)methyl]triazol-4-yl]methyl]-N,N-dimethyl-1,1-dioxo-1,2-thiazolidin-4-amine (CID 53301300) is 2-[[1-[(3-chlorophenyl)methyl]triazol-4-yl]methyl]-N,N-dimethyl-1,1-dioxo-1,2-thiazolidin-4-amine.
What is the SMILES notation for 2-[[1-[(3-chlorophenyl)methyl]triazol-4-yl]methyl]-N,N-dimethyl-1,1-dioxo-1,2-thiazolidin-4-amine?
The canonical SMILES for 2-[[1-[(3-chlorophenyl)methyl]triazol-4-yl]methyl]-N,N-dimethyl-1,1-dioxo-1,2-thiazolidin-4-amine is CN(C)C1CN(Cc2cn(Cc3cccc(Cl)c3)nn2)S(=O)(=O)C1.
What is the InChIKey of 2-[[1-[(3-chlorophenyl)methyl]triazol-4-yl]methyl]-N,N-dimethyl-1,1-dioxo-1,2-thiazolidin-4-amine?
The InChIKey is OQYZCFZGJWERKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN5O2S/c1-19(2)15-10-21(24(22,23)11-15)9-14-8-20(18-17-14)7-12-4-3-5-13(16)6-12/h3-6,8,15H,7,9-11H2,1-2H3.
What are the key properties of 2-[[1-[(3-chlorophenyl)methyl]triazol-4-yl]methyl]-N,N-dimethyl-1,1-dioxo-1,2-thiazolidin-4-amine?
2-[[1-[(3-chlorophenyl)methyl]triazol-4-yl]methyl]-N,N-dimethyl-1,1-dioxo-1,2-thiazolidin-4-amine has a molecular weight of 369.88 g/mol, XLogP of 1.06, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-[(3-chlorophenyl)methyl]triazol-4-yl]methyl]-N,N-dimethyl-1,1-dioxo-1,2-thiazolidin-4-amine is sourced from PubChem (CID 53301300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).