N-butyl-N-[(5-hydrazinylthiadiazol-4-yl)methyl]aniline

C13H19N5S — CID 64586797

IUPACN-butyl-N-[(5-hydrazinylthiadiazol-4-yl)methyl]aniline
SMILESCCCCN(Cc1nnsc1NN)c1ccccc1
InChIInChI=1S/C13H19N5S/c1-2-3-9-18(11-7-5-4-6-8-11)10-12-13(15-14)19-17-16-12/h4-8,15H,2-3,9-10,14H2,1H3
InChIKeySIFJCGDXUZMWQB-UHFFFAOYSA-N
MW277.40 g/mol
LogP2.63
Rot. Bonds7

About N-butyl-N-[(5-hydrazinylthiadiazol-4-yl)methyl]aniline

N-butyl-N-[(5-hydrazinylthiadiazol-4-yl)methyl]aniline (PubChem CID 64586797) has the molecular formula C13H19N5S and a molecular weight of 277.40 g/mol. Its IUPAC name is N-butyl-N-[(5-hydrazinylthiadiazol-4-yl)methyl]aniline.

Molecular Properties

Compound NameN-butyl-N-[(5-hydrazinylthiadiazol-4-yl)methyl]aniline
PubChem CID64586797
Molecular FormulaC13H19N5S
Molecular Weight277.40 g/mol
Exact Mass277.14
IUPAC NameN-butyl-N-[(5-hydrazinylthiadiazol-4-yl)methyl]aniline
SMILESCCCCN(Cc1nnsc1NN)c1ccccc1
InChIInChI=1S/C13H19N5S/c1-2-3-9-18(11-7-5-4-6-8-11)10-12-13(15-14)19-17-16-12/h4-8,15H,2-3,9-10,14H2,1H3
InChIKeySIFJCGDXUZMWQB-UHFFFAOYSA-N
XLogP2.63
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.40
LogP ≤ 52.63
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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Frequently Asked Questions

What is the IUPAC name of N-butyl-N-[(5-hydrazinylthiadiazol-4-yl)methyl]aniline?
The IUPAC name of N-butyl-N-[(5-hydrazinylthiadiazol-4-yl)methyl]aniline (CID 64586797) is N-butyl-N-[(5-hydrazinylthiadiazol-4-yl)methyl]aniline.
What is the SMILES notation for N-butyl-N-[(5-hydrazinylthiadiazol-4-yl)methyl]aniline?
The canonical SMILES for N-butyl-N-[(5-hydrazinylthiadiazol-4-yl)methyl]aniline is CCCCN(Cc1nnsc1NN)c1ccccc1.
What is the InChIKey of N-butyl-N-[(5-hydrazinylthiadiazol-4-yl)methyl]aniline?
The InChIKey is SIFJCGDXUZMWQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5S/c1-2-3-9-18(11-7-5-4-6-8-11)10-12-13(15-14)19-17-16-12/h4-8,15H,2-3,9-10,14H2,1H3.
What are the key properties of N-butyl-N-[(5-hydrazinylthiadiazol-4-yl)methyl]aniline?
N-butyl-N-[(5-hydrazinylthiadiazol-4-yl)methyl]aniline has a molecular weight of 277.40 g/mol, XLogP of 2.63, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-[(5-hydrazinylthiadiazol-4-yl)methyl]aniline is sourced from PubChem (CID 64586797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).