1-(4-ethylthiadiazol-5-yl)-N-propyldecan-1-amine

C17H33N3S — CID 105124534

IUPAC1-(4-ethylthiadiazol-5-yl)-N-propyldecan-1-amine
SMILESCCCCCCCCCC(NCCC)c1snnc1CC
InChIInChI=1S/C17H33N3S/c1-4-7-8-9-10-11-12-13-16(18-14-5-2)17-15(6-3)19-20-21-17/h16,18H,4-14H2,1-3H3
InChIKeyHGFQGXAHDKVGHG-UHFFFAOYSA-N
MW311.54 g/mol
LogP5.28
Rot. Bonds13

About 1-(4-ethylthiadiazol-5-yl)-N-propyldecan-1-amine

1-(4-ethylthiadiazol-5-yl)-N-propyldecan-1-amine (PubChem CID 105124534) has the molecular formula C17H33N3S and a molecular weight of 311.54 g/mol. Its IUPAC name is 1-(4-ethylthiadiazol-5-yl)-N-propyldecan-1-amine.

Molecular Properties

Compound Name1-(4-ethylthiadiazol-5-yl)-N-propyldecan-1-amine
PubChem CID105124534
Molecular FormulaC17H33N3S
Molecular Weight311.54 g/mol
Exact Mass311.24
IUPAC Name1-(4-ethylthiadiazol-5-yl)-N-propyldecan-1-amine
SMILESCCCCCCCCCC(NCCC)c1snnc1CC
InChIInChI=1S/C17H33N3S/c1-4-7-8-9-10-11-12-13-16(18-14-5-2)17-15(6-3)19-20-21-17/h16,18H,4-14H2,1-3H3
InChIKeyHGFQGXAHDKVGHG-UHFFFAOYSA-N
XLogP5.28
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500311.54
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(4-ethylthiadiazol-5-yl)-4-methyl-N-propylpentan-1-amine
CID 105127300
1-(4-ethylthiadiazol-5-yl)octylhydrazine
CID 105293632
1-(4-propan-2-ylthiadiazol-5-yl)-N-propylheptan-1-amine
CID 105126200
1-(4-tert-butylthiadiazol-5-yl)-N-propylhexan-1-amine
CID 105129802
3-ethyl-1-(4-ethylthiadiazol-5-yl)-N-propylpentan-1-amine
CID 105176939
N-methyl-1-(4-propylthiadiazol-5-yl)nonan-1-amine
CID 105127772
5,5,5-trifluoro-N-propyl-1-(4-propylthiadiazol-5-yl)pentan-1-amine
CID 105174390
1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-N-propylheptan-1-amine
CID 63405862
N-[1-(4-ethylthiadiazol-5-yl)-2-(5-ethylthiophen-2-yl)ethyl]propan-1-amine
CID 105136145
N-ethyl-4-ethylsulfonyl-1-(4-ethylthiadiazol-5-yl)butan-1-amine
CID 105152683
N-ethyl-1-(4-ethylthiadiazol-5-yl)hex-5-yn-1-amine
CID 105179701
N-ethyl-1-(4-ethylthiadiazol-5-yl)hex-5-en-1-amine
CID 105153232

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylthiadiazol-5-yl)-N-propyldecan-1-amine?
The IUPAC name of 1-(4-ethylthiadiazol-5-yl)-N-propyldecan-1-amine (CID 105124534) is 1-(4-ethylthiadiazol-5-yl)-N-propyldecan-1-amine.
What is the SMILES notation for 1-(4-ethylthiadiazol-5-yl)-N-propyldecan-1-amine?
The canonical SMILES for 1-(4-ethylthiadiazol-5-yl)-N-propyldecan-1-amine is CCCCCCCCCC(NCCC)c1snnc1CC.
What is the InChIKey of 1-(4-ethylthiadiazol-5-yl)-N-propyldecan-1-amine?
The InChIKey is HGFQGXAHDKVGHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N3S/c1-4-7-8-9-10-11-12-13-16(18-14-5-2)17-15(6-3)19-20-21-17/h16,18H,4-14H2,1-3H3.
What are the key properties of 1-(4-ethylthiadiazol-5-yl)-N-propyldecan-1-amine?
1-(4-ethylthiadiazol-5-yl)-N-propyldecan-1-amine has a molecular weight of 311.54 g/mol, XLogP of 5.28, 13 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylthiadiazol-5-yl)-N-propyldecan-1-amine is sourced from PubChem (CID 105124534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).