5-N-benzyl-3-N-decyl-5-N-methyl-1,2,4-thiadiazole-3,5-diamine

C20H32N4S — CID 10292033

IUPAC5-N-benzyl-3-N-decyl-5-N-methyl-1,2,4-thiadiazole-3,5-diamine
SMILESCCCCCCCCCCNc1nsc(N(C)Cc2ccccc2)n1
InChIInChI=1S/C20H32N4S/c1-3-4-5-6-7-8-9-13-16-21-19-22-20(25-23-19)24(2)17-18-14-11-10-12-15-18/h10-12,14-15H,3-9,13,16-17H2,1-2H3,(H,21,23)
InChIKeyZKOZLHVTUBIRKC-UHFFFAOYSA-N
MW360.57 g/mol
LogP5.73
Rot. Bonds13

About 5-N-benzyl-3-N-decyl-5-N-methyl-1,2,4-thiadiazole-3,5-diamine

5-N-benzyl-3-N-decyl-5-N-methyl-1,2,4-thiadiazole-3,5-diamine (PubChem CID 10292033) has the molecular formula C20H32N4S and a molecular weight of 360.57 g/mol. Its IUPAC name is 5-N-benzyl-3-N-decyl-5-N-methyl-1,2,4-thiadiazole-3,5-diamine.

Molecular Properties

Compound Name5-N-benzyl-3-N-decyl-5-N-methyl-1,2,4-thiadiazole-3,5-diamine
PubChem CID10292033
Molecular FormulaC20H32N4S
Molecular Weight360.57 g/mol
Exact Mass360.23
IUPAC Name5-N-benzyl-3-N-decyl-5-N-methyl-1,2,4-thiadiazole-3,5-diamine
SMILESCCCCCCCCCCNc1nsc(N(C)Cc2ccccc2)n1
InChIInChI=1S/C20H32N4S/c1-3-4-5-6-7-8-9-13-16-21-19-22-20(25-23-19)24(2)17-18-14-11-10-12-15-18/h10-12,14-15H,3-9,13,16-17H2,1-2H3,(H,21,23)
InChIKeyZKOZLHVTUBIRKC-UHFFFAOYSA-N
XLogP5.73
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.57
LogP ≤ 55.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-Ethyl-3-phenyl-1,2,4-thiadiazol-5-amine
CID 12725098
3-[[[(1S)-1,2-diphenylethyl]amino]methyl]-N,N-dimethyl-1,2,4-thiadiazol-5-amine
CID 97224740
N-benzyl-1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-amine
CID 122154059
3-N-[2-(dimethylamino)ethyl]-5-N-[2-(4-fluorophenyl)-2-methylpropyl]-1,2,4-thiadiazole-3,5-diamine
CID 70974847
5-N-[3-amino-2-(4-fluorophenyl)-2-methylpropyl]-5-N-[2-(4-fluorophenyl)-2-methylpropyl]-3-N-propyl-1,2,4-thiadiazole-3,5-diamine
CID 70975222
[2-(4-Fluorophenyl)-2-methylpropyl]{3-[(methylethyl)amino](1,2,4-thiadiazol-5-yl)}amine
CID 70977343
5-N-[2-(4-fluorophenyl)-2-methylpropyl]-3-N-propyl-1,2,4-thiadiazole-3,5-diamine
CID 70977345
3-N-[2-(dimethylamino)ethyl]-5-N-[2-(4-fluorophenyl)-2-methylpropyl]-3-N-methyl-1,2,4-thiadiazole-3,5-diamine
CID 71000930
N-methyl-5-phenyl-1,2,4-thiadiazol-3-amine
CID 13131306
2-N-benzyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
CID 15396851
N-Benzyl-3-chloro-1,2,4-thiadiazol-5-amine
CID 130727718
3-N-[(2,4-difluorophenyl)methyl]-5-N,5-N-bis(prop-2-enyl)-1,2,4-thiadiazole-3,5-diamine
CID 9858342

Frequently Asked Questions

What is the IUPAC name of 5-N-benzyl-3-N-decyl-5-N-methyl-1,2,4-thiadiazole-3,5-diamine?
The IUPAC name of 5-N-benzyl-3-N-decyl-5-N-methyl-1,2,4-thiadiazole-3,5-diamine (CID 10292033) is 5-N-benzyl-3-N-decyl-5-N-methyl-1,2,4-thiadiazole-3,5-diamine.
What is the SMILES notation for 5-N-benzyl-3-N-decyl-5-N-methyl-1,2,4-thiadiazole-3,5-diamine?
The canonical SMILES for 5-N-benzyl-3-N-decyl-5-N-methyl-1,2,4-thiadiazole-3,5-diamine is CCCCCCCCCCNc1nsc(N(C)Cc2ccccc2)n1.
What is the InChIKey of 5-N-benzyl-3-N-decyl-5-N-methyl-1,2,4-thiadiazole-3,5-diamine?
The InChIKey is ZKOZLHVTUBIRKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N4S/c1-3-4-5-6-7-8-9-13-16-21-19-22-20(25-23-19)24(2)17-18-14-11-10-12-15-18/h10-12,14-15H,3-9,13,16-17H2,1-2H3,(H,21,23).
What are the key properties of 5-N-benzyl-3-N-decyl-5-N-methyl-1,2,4-thiadiazole-3,5-diamine?
5-N-benzyl-3-N-decyl-5-N-methyl-1,2,4-thiadiazole-3,5-diamine has a molecular weight of 360.57 g/mol, XLogP of 5.73, 13 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-benzyl-3-N-decyl-5-N-methyl-1,2,4-thiadiazole-3,5-diamine is sourced from PubChem (CID 10292033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).