1-(4-benzylpiperazin-1-yl)-2-[[5-(4-methylphenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl]sulfanyl]ethanone

C24H25N5OS2 — CID 655337

IUPAC1-(4-benzylpiperazin-1-yl)-2-[[5-(4-methylphenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl]sulfanyl]ethanone
SMILESCc1ccc(-c2csc3nnc(SCC(=O)N4CCN(Cc5ccccc5)CC4)n23)cc1
InChIInChI=1S/C24H25N5OS2/c1-18-7-9-20(10-8-18)21-16-31-23-25-26-24(29(21)23)32-17-22(30)28-13-11-27(12-14-28)15-19-5-3-2-4-6-19/h2-10,16H,11-15,17H2,1H3
InChIKeyRSRPCRAJDGVNOX-UHFFFAOYSA-N
MW463.63 g/mol
LogP4.20
Rot. Bonds6

About 1-(4-benzylpiperazin-1-yl)-2-[[5-(4-methylphenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl]sulfanyl]ethanone

1-(4-benzylpiperazin-1-yl)-2-[[5-(4-methylphenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl]sulfanyl]ethanone (PubChem CID 655337) has the molecular formula C24H25N5OS2 and a molecular weight of 463.63 g/mol. Its IUPAC name is 1-(4-benzylpiperazin-1-yl)-2-[[5-(4-methylphenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl]sulfanyl]ethanone.

Molecular Properties

Compound Name1-(4-benzylpiperazin-1-yl)-2-[[5-(4-methylphenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl]sulfanyl]ethanone
PubChem CID655337
Molecular FormulaC24H25N5OS2
Molecular Weight463.63 g/mol
Exact Mass463.15
IUPAC Name1-(4-benzylpiperazin-1-yl)-2-[[5-(4-methylphenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl]sulfanyl]ethanone
SMILESCc1ccc(-c2csc3nnc(SCC(=O)N4CCN(Cc5ccccc5)CC4)n23)cc1
InChIInChI=1S/C24H25N5OS2/c1-18-7-9-20(10-8-18)21-16-31-23-25-26-24(29(21)23)32-17-22(30)28-13-11-27(12-14-28)15-19-5-3-2-4-6-19/h2-10,16H,11-15,17H2,1H3
InChIKeyRSRPCRAJDGVNOX-UHFFFAOYSA-N
XLogP4.20
TPSA53.74 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.63
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 1-(4-benzylpiperazin-1-yl)-2-[[5-(4-methylphenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl]sulfanyl]ethanone with MolForge

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Related Compounds

7-Acetyl-3-(4-ethyl-phenyl)-6,7-dihydro-5H-imidazo[2,1-b]thiazol-4-ylium
CID 9551820
1-(4-Benzyl-piperazin-1-yl)-2-(5-phenyl-thiazolo[2,3-c][1,2,4]triazol-3-ylsulfanyl)-ethanone
CID 645655
1-(3,4-Dihydro-2H-quinolin-1-yl)-2-(5-phenyl-thiazolo[2,3-c][1,2,4]triazol-3-ylsulfanyl)-ethanone
CID 651249
2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)thio]-N-(4-phenyl-2-thiazolyl)acetamide
CID 652564
2-[[5-(4-methylphenyl)-3-thiazolo[2,3-c][1,2,4]triazolyl]thio]-N-(6-methyl-2-pyridinyl)acetamide
CID 655526
N-Benzyl-2-{4-ethyl-5-[(4-phenyl-thiazol-2-ylamino)-methyl]-4H-[1,2,4]triazol-3-ylsulfanyl}-acetamide
CID 1440557
2-[(4-ethyl-5-phenyl-4H-1,2,4-triazol-3-yl)thio]-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide
CID 2201624
2-{[5-(4-methylphenyl)[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl]thio}-N-(5-phenyl-1,2,4-thiadiazol-3-yl)acetamide
CID 2212701
N-(3-methylphenyl)-2-({5-phenyl-[1,2,4]triazolo[3,4-b][1,3]thiazol-3-yl}sulfanyl)acetamide
CID 2241359
N-[5-(4-Methylphenyl)-1,2,4-thiadiazol-3-YL]-2-({5-phenyl-[1,2,4]triazolo[3,4-B][1,3]thiazol-3-YL}sulfanyl)acetamide
CID 4256680
4-(3-phenyl-1,2,4-thiadiazol-5-yl)-N-(4-phenylthiazol-2-yl)piperazine-1-carboxamide
CID 44562223
3-(((2-Methylthiazol-4-yl)methyl)thio)-5-(p-tolyl)thiazolo[2,3-c][1,2,4]triazole
CID 1179308

Frequently Asked Questions

What is the IUPAC name of 1-(4-benzylpiperazin-1-yl)-2-[[5-(4-methylphenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl]sulfanyl]ethanone?
The IUPAC name of 1-(4-benzylpiperazin-1-yl)-2-[[5-(4-methylphenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl]sulfanyl]ethanone (CID 655337) is 1-(4-benzylpiperazin-1-yl)-2-[[5-(4-methylphenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl]sulfanyl]ethanone.
What is the SMILES notation for 1-(4-benzylpiperazin-1-yl)-2-[[5-(4-methylphenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl]sulfanyl]ethanone?
The canonical SMILES for 1-(4-benzylpiperazin-1-yl)-2-[[5-(4-methylphenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl]sulfanyl]ethanone is Cc1ccc(-c2csc3nnc(SCC(=O)N4CCN(Cc5ccccc5)CC4)n23)cc1.
What is the InChIKey of 1-(4-benzylpiperazin-1-yl)-2-[[5-(4-methylphenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl]sulfanyl]ethanone?
The InChIKey is RSRPCRAJDGVNOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5OS2/c1-18-7-9-20(10-8-18)21-16-31-23-25-26-24(29(21)23)32-17-22(30)28-13-11-27(12-14-28)15-19-5-3-2-4-6-19/h2-10,16H,11-15,17H2,1H3.
What are the key properties of 1-(4-benzylpiperazin-1-yl)-2-[[5-(4-methylphenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl]sulfanyl]ethanone?
1-(4-benzylpiperazin-1-yl)-2-[[5-(4-methylphenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl]sulfanyl]ethanone has a molecular weight of 463.63 g/mol, XLogP of 4.20, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-benzylpiperazin-1-yl)-2-[[5-(4-methylphenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl]sulfanyl]ethanone is sourced from PubChem (CID 655337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).