N-ethyl-1-(4-ethylthiadiazol-5-yl)hex-5-yn-1-amine

C12H19N3S — CID 105179701

IUPACN-ethyl-1-(4-ethylthiadiazol-5-yl)hex-5-yn-1-amine
SMILESC#CCCCC(NCC)c1snnc1CC
InChIInChI=1S/C12H19N3S/c1-4-7-8-9-11(13-6-3)12-10(5-2)14-15-16-12/h1,11,13H,5-9H2,2-3H3
InChIKeyGKKMIIUPDWPRCQ-UHFFFAOYSA-N
MW237.37 g/mol
LogP2.55
Rot. Bonds7

About N-ethyl-1-(4-ethylthiadiazol-5-yl)hex-5-yn-1-amine

N-ethyl-1-(4-ethylthiadiazol-5-yl)hex-5-yn-1-amine (PubChem CID 105179701) has the molecular formula C12H19N3S and a molecular weight of 237.37 g/mol. Its IUPAC name is N-ethyl-1-(4-ethylthiadiazol-5-yl)hex-5-yn-1-amine.

Molecular Properties

Compound NameN-ethyl-1-(4-ethylthiadiazol-5-yl)hex-5-yn-1-amine
PubChem CID105179701
Molecular FormulaC12H19N3S
Molecular Weight237.37 g/mol
Exact Mass237.13
IUPAC NameN-ethyl-1-(4-ethylthiadiazol-5-yl)hex-5-yn-1-amine
SMILESC#CCCCC(NCC)c1snnc1CC
InChIInChI=1S/C12H19N3S/c1-4-7-8-9-11(13-6-3)12-10(5-2)14-15-16-12/h1,11,13H,5-9H2,2-3H3
InChIKeyGKKMIIUPDWPRCQ-UHFFFAOYSA-N
XLogP2.55
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.37
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-ethyl-1-(4-ethylthiadiazol-5-yl)hex-5-yn-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-ethyl-4-ethylsulfonyl-1-(4-ethylthiadiazol-5-yl)butan-1-amine
CID 105152683
N-ethyl-1-(4-ethylthiadiazol-5-yl)hex-5-en-1-amine
CID 105153232
N-ethyl-1-(4-ethylthiadiazol-5-yl)-4,4,4-trifluorobutan-1-amine
CID 105156470
1-(4-propylthiadiazol-5-yl)hex-5-yn-1-ol
CID 105124752
N-ethyl-1-(3-ethyl-6-methylpyridazin-4-yl)hex-5-yn-1-amine
CID 105179583
1-(4-ethylthiadiazol-5-yl)-N-propyldecan-1-amine
CID 105124534
N-ethyl-4-methylsulfonyl-1-(4-propylthiadiazol-5-yl)butan-1-amine
CID 105112917
1-(4-ethylthiadiazol-5-yl)-4-methyl-N-propylpentan-1-amine
CID 105127300
[1-(4-ethylthiadiazol-5-yl)-5-methylhexyl]hydrazine
CID 105331378
1-(4-ethylthiadiazol-5-yl)octylhydrazine
CID 105293632
[1-(4-ethylthiadiazol-5-yl)-4-methoxybutyl]hydrazine
CID 105342583
N-ethyl-1-(3-ethyl-1-methylpyrazol-5-yl)hex-5-yn-1-amine
CID 105179702

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(4-ethylthiadiazol-5-yl)hex-5-yn-1-amine?
The IUPAC name of N-ethyl-1-(4-ethylthiadiazol-5-yl)hex-5-yn-1-amine (CID 105179701) is N-ethyl-1-(4-ethylthiadiazol-5-yl)hex-5-yn-1-amine.
What is the SMILES notation for N-ethyl-1-(4-ethylthiadiazol-5-yl)hex-5-yn-1-amine?
The canonical SMILES for N-ethyl-1-(4-ethylthiadiazol-5-yl)hex-5-yn-1-amine is C#CCCCC(NCC)c1snnc1CC.
What is the InChIKey of N-ethyl-1-(4-ethylthiadiazol-5-yl)hex-5-yn-1-amine?
The InChIKey is GKKMIIUPDWPRCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3S/c1-4-7-8-9-11(13-6-3)12-10(5-2)14-15-16-12/h1,11,13H,5-9H2,2-3H3.
What are the key properties of N-ethyl-1-(4-ethylthiadiazol-5-yl)hex-5-yn-1-amine?
N-ethyl-1-(4-ethylthiadiazol-5-yl)hex-5-yn-1-amine has a molecular weight of 237.37 g/mol, XLogP of 2.55, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(4-ethylthiadiazol-5-yl)hex-5-yn-1-amine is sourced from PubChem (CID 105179701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).