1-(4-ethylthiadiazol-5-yl)-4-methyl-N-propylpentan-1-amine

C13H25N3S — CID 105127300

IUPAC1-(4-ethylthiadiazol-5-yl)-4-methyl-N-propylpentan-1-amine
SMILESCCCNC(CCC(C)C)c1snnc1CC
InChIInChI=1S/C13H25N3S/c1-5-9-14-12(8-7-10(3)4)13-11(6-2)15-16-17-13/h10,12,14H,5-9H2,1-4H3
InChIKeyJJKJTOGOEZQAAL-UHFFFAOYSA-N
MW255.43 g/mol
LogP3.58
Rot. Bonds8

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

1-(4-ethylthiadiazol-5-yl)-4-methyl-N-propylpentan-1-amine (PubChem CID 105127300) has the molecular formula C13H25N3S and a molecular weight of 255.43 g/mol. Its IUPAC name is 1-(4-ethylthiadiazol-5-yl)-4-methyl-N-propylpentan-1-amine.

Molecular Properties

Compound Name1-(4-ethylthiadiazol-5-yl)-4-methyl-N-propylpentan-1-amine
PubChem CID105127300
Molecular FormulaC13H25N3S
Molecular Weight255.43 g/mol
Exact Mass255.18
IUPAC Name1-(4-ethylthiadiazol-5-yl)-4-methyl-N-propylpentan-1-amine
SMILESCCCNC(CCC(C)C)c1snnc1CC
InChIInChI=1S/C13H25N3S/c1-5-9-14-12(8-7-10(3)4)13-11(6-2)15-16-17-13/h10,12,14H,5-9H2,1-4H3
InChIKeyJJKJTOGOEZQAAL-UHFFFAOYSA-N
XLogP3.58
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.43
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-ethylthiadiazol-5-yl)-N-propyldecan-1-amine
CID 105124534
3-ethyl-1-(4-ethylthiadiazol-5-yl)-N-propylpentan-1-amine
CID 105176939
N-[1-(4-ethylthiadiazol-5-yl)-2-(5-ethylthiophen-2-yl)ethyl]propan-1-amine
CID 105136145
[1-(4-ethylthiadiazol-5-yl)-5-methylhexyl]hydrazine
CID 105331378
1-(4-propan-2-ylthiadiazol-5-yl)-N-propylbutan-1-amine
CID 105080416
5,5,5-trifluoro-N-propyl-1-(4-propylthiadiazol-5-yl)pentan-1-amine
CID 105174390
N-[2-(3,4-difluorophenyl)-1-(4-ethylthiadiazol-5-yl)ethyl]propan-1-amine
CID 105176082
N-ethyl-1-(4-ethylthiadiazol-5-yl)-4,4,4-trifluorobutan-1-amine
CID 105156470
N-propyl-1-(4-propylthiadiazol-5-yl)-3-thiophen-3-ylpropan-1-amine
CID 105147880
1-(4-propan-2-ylthiadiazol-5-yl)-N-propylheptan-1-amine
CID 105126200
N-[2-(2-bromo-5-fluorophenyl)-1-(4-ethylthiadiazol-5-yl)ethyl]propan-1-amine
CID 105136841
N-[(4-ethylthiadiazol-5-yl)-(4-methylphenyl)methyl]propan-1-amine
CID 105092612

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylthiadiazol-5-yl)-4-methyl-N-propylpentan-1-amine?
The IUPAC name of 1-(4-ethylthiadiazol-5-yl)-4-methyl-N-propylpentan-1-amine (CID 105127300) is 1-(4-ethylthiadiazol-5-yl)-4-methyl-N-propylpentan-1-amine.
What is the SMILES notation for 1-(4-ethylthiadiazol-5-yl)-4-methyl-N-propylpentan-1-amine?
The canonical SMILES for 1-(4-ethylthiadiazol-5-yl)-4-methyl-N-propylpentan-1-amine is CCCNC(CCC(C)C)c1snnc1CC.
What is the InChIKey of 1-(4-ethylthiadiazol-5-yl)-4-methyl-N-propylpentan-1-amine?
The InChIKey is JJKJTOGOEZQAAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3S/c1-5-9-14-12(8-7-10(3)4)13-11(6-2)15-16-17-13/h10,12,14H,5-9H2,1-4H3.
What are the key properties of 1-(4-ethylthiadiazol-5-yl)-4-methyl-N-propylpentan-1-amine?
1-(4-ethylthiadiazol-5-yl)-4-methyl-N-propylpentan-1-amine has a molecular weight of 255.43 g/mol, XLogP of 3.58, 8 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)-4-methyl-N-propylpentan-1-amine is sourced from PubChem (CID 105127300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).