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

C11H15N5S — CID 80613981

IUPACN-ethyl-N-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]aniline
SMILESCCN(Cc1nnc(NN)s1)c1ccccc1
InChIInChI=1S/C11H15N5S/c1-2-16(9-6-4-3-5-7-9)8-10-14-15-11(13-12)17-10/h3-7H,2,8,12H2,1H3,(H,13,15)
InChIKeyOSVVCDPCRBOOPE-UHFFFAOYSA-N
MW249.34 g/mol
LogP1.85
Rot. Bonds5

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

N-ethyl-N-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]aniline (PubChem CID 80613981) has the molecular formula C11H15N5S and a molecular weight of 249.34 g/mol. Its IUPAC name is N-ethyl-N-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]aniline.

Molecular Properties

Compound NameN-ethyl-N-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]aniline
PubChem CID80613981
Molecular FormulaC11H15N5S
Molecular Weight249.34 g/mol
Exact Mass249.10
IUPAC NameN-ethyl-N-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]aniline
SMILESCCN(Cc1nnc(NN)s1)c1ccccc1
InChIInChI=1S/C11H15N5S/c1-2-16(9-6-4-3-5-7-9)8-10-14-15-11(13-12)17-10/h3-7H,2,8,12H2,1H3,(H,13,15)
InChIKeyOSVVCDPCRBOOPE-UHFFFAOYSA-N
XLogP1.85
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.34
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-3-fluoro-N-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]aniline
CID 80614477
N-benzyl-N-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]ethanamine
CID 80613982
5-[(N-ethylanilino)methyl]-1,3,4-thiadiazol-2-amine
CID 78962039
N-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]-N-ethylaniline
CID 80610847
N-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]-N-methylethanamine
CID 80614289
5-[(N-ethyl-2-methylanilino)methyl]-N-propyl-1,3,4-thiadiazol-2-amine
CID 80607716
N-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]-N-methyl-1-thiophen-2-ylmethanamine
CID 80614574
N,N-diethylaniline;hydrazine
CID 161037544
N-ethyl-N-[(5-hydrazinylpyrazin-2-yl)methyl]aniline
CID 103060815
N,N-diethylaniline
CID 7061
2-[ethyl-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]amino]-N,N-dimethylacetamide
CID 80614280
N-ethyl-N-[(2-hydrazinyl-4-pyridinyl)methyl]aniline
CID 62470305

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]aniline?
The IUPAC name of N-ethyl-N-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]aniline (CID 80613981) is N-ethyl-N-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]aniline.
What is the SMILES notation for N-ethyl-N-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]aniline?
The canonical SMILES for N-ethyl-N-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]aniline is CCN(Cc1nnc(NN)s1)c1ccccc1.
What is the InChIKey of N-ethyl-N-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]aniline?
The InChIKey is OSVVCDPCRBOOPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5S/c1-2-16(9-6-4-3-5-7-9)8-10-14-15-11(13-12)17-10/h3-7H,2,8,12H2,1H3,(H,13,15).
What are the key properties of N-ethyl-N-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]aniline?
N-ethyl-N-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]aniline has a molecular weight of 249.34 g/mol, XLogP of 1.85, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]aniline is sourced from PubChem (CID 80613981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).