2-[4-(3,4-dichlorophenyl)selenadiazol-5-yl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide

C13H8Cl2N4OS2Se — CID 44594981

IUPAC2-[4-(3,4-dichlorophenyl)selenadiazol-5-yl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide
SMILESO=C(CSc1[se]nnc1-c1ccc(Cl)c(Cl)c1)Nc1nccs1
InChIInChI=1S/C13H8Cl2N4OS2Se/c14-8-2-1-7(5-9(8)15)11-12(23-19-18-11)22-6-10(20)17-13-16-3-4-21-13/h1-5H,6H2,(H,16,17,20)
InChIKeyDEKYLSITTDVERR-UHFFFAOYSA-N
MW450.23 g/mol
LogP3.69
Rot. Bonds5

About 2-[4-(3,4-dichlorophenyl)selenadiazol-5-yl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide

2-[4-(3,4-dichlorophenyl)selenadiazol-5-yl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide (PubChem CID 44594981) has the molecular formula C13H8Cl2N4OS2Se and a molecular weight of 450.23 g/mol. Its IUPAC name is 2-[4-(3,4-dichlorophenyl)selenadiazol-5-yl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[4-(3,4-dichlorophenyl)selenadiazol-5-yl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide
PubChem CID44594981
Molecular FormulaC13H8Cl2N4OS2Se
Molecular Weight450.23 g/mol
Exact Mass449.87
IUPAC Name2-[4-(3,4-dichlorophenyl)selenadiazol-5-yl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide
SMILESO=C(CSc1[se]nnc1-c1ccc(Cl)c(Cl)c1)Nc1nccs1
InChIInChI=1S/C13H8Cl2N4OS2Se/c14-8-2-1-7(5-9(8)15)11-12(23-19-18-11)22-6-10(20)17-13-16-3-4-21-13/h1-5H,6H2,(H,16,17,20)
InChIKeyDEKYLSITTDVERR-UHFFFAOYSA-N
XLogP3.69
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.23
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 2409358
2-[4-(4-chlorophenyl)triazol-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 155518758
N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]-1,3-thiazole-5-carboxamide
CID 155548184
2-[4-(4-chlorophenyl)triazol-1-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 155535295
N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]-2-(1,3,4-thiadiazol-2-ylsulfanyl)propanamide
CID 4289897
2-[4-(3-chlorophenyl)triazol-1-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 155539046
2-((5-(4-Chlorophenyl)-1,3,4-thiadiazol-2-yl)thio)-N-(1,3-thiazol-2-yl)acetamide
CID 341584
N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]-3-(2-thienyl)acrylamide
CID 1012059
2-{[4-(4-Chlorophenyl)-1,3-thiazol-2-yl]sulfanyl}-N-(1,3-thiazol-2-yl)acetamide
CID 3154278
N-[5-(3,4-dichlorobenzyl)-1,3-thiazol-2-yl]-2-{[1-(4-fluorophenyl)-1H-tetrazol-5-yl]sulfanyl}acetamide
CID 1405230
N-[4-(4-Chlorophenyl)-1,3-thiazol-2-YL]-2-[(1-ethyl-1,2,3,4-tetrazol-5-YL)sulfanyl]acetamide
CID 1452233
Acetamide,2-[[4-(4-chlorophenyl)-thiazol-2-YL]thio]-N-(5-methyl-thiazol-2-YL)-
CID 3223884

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3,4-dichlorophenyl)selenadiazol-5-yl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-[4-(3,4-dichlorophenyl)selenadiazol-5-yl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide (CID 44594981) is 2-[4-(3,4-dichlorophenyl)selenadiazol-5-yl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-[4-(3,4-dichlorophenyl)selenadiazol-5-yl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-[4-(3,4-dichlorophenyl)selenadiazol-5-yl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide is O=C(CSc1[se]nnc1-c1ccc(Cl)c(Cl)c1)Nc1nccs1.
What is the InChIKey of 2-[4-(3,4-dichlorophenyl)selenadiazol-5-yl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide?
The InChIKey is DEKYLSITTDVERR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8Cl2N4OS2Se/c14-8-2-1-7(5-9(8)15)11-12(23-19-18-11)22-6-10(20)17-13-16-3-4-21-13/h1-5H,6H2,(H,16,17,20).
What are the key properties of 2-[4-(3,4-dichlorophenyl)selenadiazol-5-yl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide?
2-[4-(3,4-dichlorophenyl)selenadiazol-5-yl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide has a molecular weight of 450.23 g/mol, XLogP of 3.69, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3,4-dichlorophenyl)selenadiazol-5-yl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 44594981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).