2-[4-(3-benzyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethanamine

C15H21N5S — CID 811229

IUPAC2-[4-(3-benzyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethanamine
SMILESNCCN1CCN(c2nc(Cc3ccccc3)ns2)CC1
InChIInChI=1S/C15H21N5S/c16-6-7-19-8-10-20(11-9-19)15-17-14(18-21-15)12-13-4-2-1-3-5-13/h1-5H,6-12,16H2
InChIKeyGNZAZCZXNSRWEU-UHFFFAOYSA-N
MW303.43 g/mol
LogP1.21
Rot. Bonds5

About 2-[4-(3-benzyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethanamine

2-[4-(3-benzyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethanamine (PubChem CID 811229) has the molecular formula C15H21N5S and a molecular weight of 303.43 g/mol. Its IUPAC name is 2-[4-(3-benzyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethanamine.

Molecular Properties

Compound Name2-[4-(3-benzyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethanamine
PubChem CID811229
Molecular FormulaC15H21N5S
Molecular Weight303.43 g/mol
Exact Mass303.15
IUPAC Name2-[4-(3-benzyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethanamine
SMILESNCCN1CCN(c2nc(Cc3ccccc3)ns2)CC1
InChIInChI=1S/C15H21N5S/c16-6-7-19-8-10-20(11-9-19)15-17-14(18-21-15)12-13-4-2-1-3-5-13/h1-5H,6-12,16H2
InChIKeyGNZAZCZXNSRWEU-UHFFFAOYSA-N
XLogP1.21
TPSA58.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.43
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)-1,4-diazepan-1-yl]ethanamine
CID 65270394
N-[2-[4-(3-benzyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethyl]-2-phenylmethoxyacetamide
CID 42775255
1-[4-(3-benzyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]propan-1-one
CID 811252
N-[2-[4-(3-benzyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethyl]-2-methoxybenzamide
CID 3888507
N-[2-[4-(3-benzyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethyl]-3-fluorobenzamide
CID 3935869
1-[2-[4-(3-benzyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethyl]-3-(4-ethylphenyl)urea
CID 5027568
2-chloro-N-[2-[4-[3-[(4-chlorophenyl)methyl]-1,2,4-thiadiazol-5-yl]piperazin-1-yl]ethyl]benzamide
CID 3341589
1-[4-(3-benzyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-2-chloropropan-1-one
CID 4261873
N-[2-[4-[3-[(4-methylphenyl)methyl]-1,2,4-thiadiazol-5-yl]piperazin-1-yl]ethyl]-2,2-diphenylacetamide
CID 4041282
1-[2-[4-[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]piperazin-1-yl]ethyl]-3-phenylurea
CID 3886230
ethyl 4-[4-(3-benzyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-4-oxobutanoate
CID 3933827
1-[4-(3-benzyl-1,2,4-thiadiazol-5-yl)-1,4-diazepan-1-yl]propan-1-one
CID 811293

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-benzyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethanamine?
The IUPAC name of 2-[4-(3-benzyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethanamine (CID 811229) is 2-[4-(3-benzyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethanamine.
What is the SMILES notation for 2-[4-(3-benzyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethanamine?
The canonical SMILES for 2-[4-(3-benzyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethanamine is NCCN1CCN(c2nc(Cc3ccccc3)ns2)CC1.
What is the InChIKey of 2-[4-(3-benzyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethanamine?
The InChIKey is GNZAZCZXNSRWEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5S/c16-6-7-19-8-10-20(11-9-19)15-17-14(18-21-15)12-13-4-2-1-3-5-13/h1-5H,6-12,16H2.
What are the key properties of 2-[4-(3-benzyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethanamine?
2-[4-(3-benzyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethanamine has a molecular weight of 303.43 g/mol, XLogP of 1.21, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-benzyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethanamine is sourced from PubChem (CID 811229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).