3-ethyl-1-(4-ethylthiadiazol-5-yl)-N-propylpentan-1-amine

C14H27N3S — CID 105176939

IUPAC3-ethyl-1-(4-ethylthiadiazol-5-yl)-N-propylpentan-1-amine
SMILESCCCNC(CC(CC)CC)c1snnc1CC
InChIInChI=1S/C14H27N3S/c1-5-9-15-13(10-11(6-2)7-3)14-12(8-4)16-17-18-14/h11,13,15H,5-10H2,1-4H3
InChIKeyLOWUTBKLCDFCNE-UHFFFAOYSA-N
MW269.46 g/mol
LogP3.97
Rot. Bonds9

About 3-ethyl-1-(4-ethylthiadiazol-5-yl)-N-propylpentan-1-amine

3-ethyl-1-(4-ethylthiadiazol-5-yl)-N-propylpentan-1-amine (PubChem CID 105176939) has the molecular formula C14H27N3S and a molecular weight of 269.46 g/mol. Its IUPAC name is 3-ethyl-1-(4-ethylthiadiazol-5-yl)-N-propylpentan-1-amine.

Molecular Properties

Compound Name3-ethyl-1-(4-ethylthiadiazol-5-yl)-N-propylpentan-1-amine
PubChem CID105176939
Molecular FormulaC14H27N3S
Molecular Weight269.46 g/mol
Exact Mass269.19
IUPAC Name3-ethyl-1-(4-ethylthiadiazol-5-yl)-N-propylpentan-1-amine
SMILESCCCNC(CC(CC)CC)c1snnc1CC
InChIInChI=1S/C14H27N3S/c1-5-9-15-13(10-11(6-2)7-3)14-12(8-4)16-17-18-14/h11,13,15H,5-10H2,1-4H3
InChIKeyLOWUTBKLCDFCNE-UHFFFAOYSA-N
XLogP3.97
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.46
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-ethyl-1-(4-propan-2-ylthiadiazol-5-yl)-N-propylpentan-1-amine
CID 105176818
1-(4-ethylthiadiazol-5-yl)-4-methyl-N-propylpentan-1-amine
CID 105127300
1-(4-ethylthiadiazol-5-yl)-N-propyldecan-1-amine
CID 105124534
N-[1-(4-ethylthiadiazol-5-yl)-2-(5-ethylthiophen-2-yl)ethyl]propan-1-amine
CID 105136145
N-[2-(2-bromo-5-fluorophenyl)-1-(4-ethylthiadiazol-5-yl)ethyl]propan-1-amine
CID 105136841
N-[2-(3,4-difluorophenyl)-1-(4-ethylthiadiazol-5-yl)ethyl]propan-1-amine
CID 105176082
3-ethyl-1-(3-ethyl-6-methylpyridazin-4-yl)-N-propylpentan-1-amine
CID 105176711
N-[(4-ethylthiadiazol-5-yl)-(4-methylphenyl)methyl]propan-1-amine
CID 105092612
N-[(4-ethylthiadiazol-5-yl)-(oxan-4-yl)methyl]propan-1-amine
CID 105147324
N-[(4-ethylthiadiazol-5-yl)-(2-methylphenyl)methyl]propan-1-amine
CID 105094965
5,5,5-trifluoro-N-propyl-1-(4-propylthiadiazol-5-yl)pentan-1-amine
CID 105174390
N-[1-(4-propylthiadiazol-5-yl)-2-(1,3-thiazol-2-yl)ethyl]propan-1-amine
CID 105169199

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-(4-ethylthiadiazol-5-yl)-N-propylpentan-1-amine?
The IUPAC name of 3-ethyl-1-(4-ethylthiadiazol-5-yl)-N-propylpentan-1-amine (CID 105176939) is 3-ethyl-1-(4-ethylthiadiazol-5-yl)-N-propylpentan-1-amine.
What is the SMILES notation for 3-ethyl-1-(4-ethylthiadiazol-5-yl)-N-propylpentan-1-amine?
The canonical SMILES for 3-ethyl-1-(4-ethylthiadiazol-5-yl)-N-propylpentan-1-amine is CCCNC(CC(CC)CC)c1snnc1CC.
What is the InChIKey of 3-ethyl-1-(4-ethylthiadiazol-5-yl)-N-propylpentan-1-amine?
The InChIKey is LOWUTBKLCDFCNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3S/c1-5-9-15-13(10-11(6-2)7-3)14-12(8-4)16-17-18-14/h11,13,15H,5-10H2,1-4H3.
What are the key properties of 3-ethyl-1-(4-ethylthiadiazol-5-yl)-N-propylpentan-1-amine?
3-ethyl-1-(4-ethylthiadiazol-5-yl)-N-propylpentan-1-amine has a molecular weight of 269.46 g/mol, XLogP of 3.97, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-(4-ethylthiadiazol-5-yl)-N-propylpentan-1-amine is sourced from PubChem (CID 105176939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).