N-benzyl-N-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]ethanamine

C12H17N5S — CID 80613982

IUPACN-benzyl-N-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]ethanamine
SMILESCCN(Cc1ccccc1)Cc1nnc(NN)s1
InChIInChI=1S/C12H17N5S/c1-2-17(8-10-6-4-3-5-7-10)9-11-15-16-12(14-13)18-11/h3-7H,2,8-9,13H2,1H3,(H,14,16)
InChIKeyFGHDQUZMZKRJKS-UHFFFAOYSA-N
MW263.37 g/mol
LogP1.85
Rot. Bonds6

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

N-benzyl-N-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]ethanamine (PubChem CID 80613982) has the molecular formula C12H17N5S and a molecular weight of 263.37 g/mol. Its IUPAC name is N-benzyl-N-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-benzyl-N-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]ethanamine
PubChem CID80613982
Molecular FormulaC12H17N5S
Molecular Weight263.37 g/mol
Exact Mass263.12
IUPAC NameN-benzyl-N-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]ethanamine
SMILESCCN(Cc1ccccc1)Cc1nnc(NN)s1
InChIInChI=1S/C12H17N5S/c1-2-17(8-10-6-4-3-5-7-10)9-11-15-16-12(14-13)18-11/h3-7H,2,8-9,13H2,1H3,(H,14,16)
InChIKeyFGHDQUZMZKRJKS-UHFFFAOYSA-N
XLogP1.85
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.37
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-N-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]aniline
CID 80613981
2-[ethyl-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]amino]-N,N-dimethylacetamide
CID 80614280
N-ethyl-3-fluoro-N-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]aniline
CID 80614477
2-ethoxy-N-(2-ethoxyethyl)-N-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]ethanamine
CID 82952358
5-[[benzyl(propan-2-yl)amino]methyl]-N-propyl-1,3,4-thiadiazol-2-amine
CID 80611385
N-benzyl-N-[(5-hydrazinylpyrazin-2-yl)methyl]ethanamine
CID 103060861
5-[[benzyl(ethyl)amino]methyl]-N-(4-chlorophenyl)-1,3,4-thiadiazole-2-carboxamide
CID 18124244
N-[[5-(aminomethyl)thiophen-2-yl]methyl]-N-benzylethanamine
CID 107555749
N-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]-N-methyl-1-thiophen-2-ylmethanamine
CID 80614574
N-benzyl-N-ethylethanamine;ethene
CID 174895763
N-benzyl-N-ethylethanamine;methanethiol
CID 142975470
N-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]-N-(oxolan-2-ylmethyl)ethanamine
CID 80614276

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]ethanamine?
The IUPAC name of N-benzyl-N-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]ethanamine (CID 80613982) is N-benzyl-N-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]ethanamine.
What is the SMILES notation for N-benzyl-N-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]ethanamine?
The canonical SMILES for N-benzyl-N-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]ethanamine is CCN(Cc1ccccc1)Cc1nnc(NN)s1.
What is the InChIKey of N-benzyl-N-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]ethanamine?
The InChIKey is FGHDQUZMZKRJKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5S/c1-2-17(8-10-6-4-3-5-7-10)9-11-15-16-12(14-13)18-11/h3-7H,2,8-9,13H2,1H3,(H,14,16).
What are the key properties of N-benzyl-N-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]ethanamine?
N-benzyl-N-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]ethanamine has a molecular weight of 263.37 g/mol, XLogP of 1.85, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]ethanamine is sourced from PubChem (CID 80613982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).