3-ethyl-1-(4-propan-2-ylthiadiazol-5-yl)-N-propylpentan-1-amine

C15H29N3S — CID 105176818

IUPAC3-ethyl-1-(4-propan-2-ylthiadiazol-5-yl)-N-propylpentan-1-amine
SMILESCCCNC(CC(CC)CC)c1snnc1C(C)C
InChIInChI=1S/C15H29N3S/c1-6-9-16-13(10-12(7-2)8-3)15-14(11(4)5)17-18-19-15/h11-13,16H,6-10H2,1-5H3
InChIKeyCIZCIQOFHGYKKK-UHFFFAOYSA-N
MW283.48 g/mol
LogP4.53
Rot. Bonds9

About 3-ethyl-1-(4-propan-2-ylthiadiazol-5-yl)-N-propylpentan-1-amine

3-ethyl-1-(4-propan-2-ylthiadiazol-5-yl)-N-propylpentan-1-amine (PubChem CID 105176818) has the molecular formula C15H29N3S and a molecular weight of 283.48 g/mol. Its IUPAC name is 3-ethyl-1-(4-propan-2-ylthiadiazol-5-yl)-N-propylpentan-1-amine.

Molecular Properties

Compound Name3-ethyl-1-(4-propan-2-ylthiadiazol-5-yl)-N-propylpentan-1-amine
PubChem CID105176818
Molecular FormulaC15H29N3S
Molecular Weight283.48 g/mol
Exact Mass283.21
IUPAC Name3-ethyl-1-(4-propan-2-ylthiadiazol-5-yl)-N-propylpentan-1-amine
SMILESCCCNC(CC(CC)CC)c1snnc1C(C)C
InChIInChI=1S/C15H29N3S/c1-6-9-16-13(10-12(7-2)8-3)15-14(11(4)5)17-18-19-15/h11-13,16H,6-10H2,1-5H3
InChIKeyCIZCIQOFHGYKKK-UHFFFAOYSA-N
XLogP4.53
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.48
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-ethyl-1-(4-propan-2-ylthiadiazol-5-yl)-N-propylpentan-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

1-(4-propan-2-ylthiadiazol-5-yl)-N-propylbutan-1-amine
CID 105080416
3-ethyl-1-(4-ethylthiadiazol-5-yl)-N-propylpentan-1-amine
CID 105176939
1-(4-propan-2-ylthiadiazol-5-yl)-N-propylheptan-1-amine
CID 105126200
3-methylsulfonyl-1-(4-propan-2-ylthiadiazol-5-yl)-N-propylpropan-1-amine
CID 114984252
N-[1-(4-propan-2-ylthiadiazol-5-yl)-2-(1,3-thiazol-2-yl)ethyl]propan-1-amine
CID 105169200
N-[2-(3-chlorophenyl)-1-(4-propan-2-ylthiadiazol-5-yl)ethyl]propan-1-amine
CID 105085999
N-[(4-chlorophenyl)-(4-propan-2-ylthiadiazol-5-yl)methyl]propan-1-amine
CID 105076429
3-ethyl-1-(4-propan-2-ylthiadiazol-5-yl)heptan-1-ol
CID 105080603
N-[(5-methyl-3-pyridinyl)-(4-propan-2-ylthiadiazol-5-yl)methyl]propan-1-amine
CID 105173924
3-ethyl-1-(2-methyl-1,3-thiazol-4-yl)-N-propylpentan-1-amine
CID 105176678
N-[(3-methylphenyl)-(4-propan-2-ylthiadiazol-5-yl)methyl]propan-1-amine
CID 105090721
2-ethyl-1-(4-propan-2-ylthiadiazol-5-yl)butan-1-amine
CID 105168462

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-(4-propan-2-ylthiadiazol-5-yl)-N-propylpentan-1-amine?
The IUPAC name of 3-ethyl-1-(4-propan-2-ylthiadiazol-5-yl)-N-propylpentan-1-amine (CID 105176818) is 3-ethyl-1-(4-propan-2-ylthiadiazol-5-yl)-N-propylpentan-1-amine.
What is the SMILES notation for 3-ethyl-1-(4-propan-2-ylthiadiazol-5-yl)-N-propylpentan-1-amine?
The canonical SMILES for 3-ethyl-1-(4-propan-2-ylthiadiazol-5-yl)-N-propylpentan-1-amine is CCCNC(CC(CC)CC)c1snnc1C(C)C.
What is the InChIKey of 3-ethyl-1-(4-propan-2-ylthiadiazol-5-yl)-N-propylpentan-1-amine?
The InChIKey is CIZCIQOFHGYKKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3S/c1-6-9-16-13(10-12(7-2)8-3)15-14(11(4)5)17-18-19-15/h11-13,16H,6-10H2,1-5H3.
What are the key properties of 3-ethyl-1-(4-propan-2-ylthiadiazol-5-yl)-N-propylpentan-1-amine?
3-ethyl-1-(4-propan-2-ylthiadiazol-5-yl)-N-propylpentan-1-amine has a molecular weight of 283.48 g/mol, XLogP of 4.53, 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-propan-2-ylthiadiazol-5-yl)-N-propylpentan-1-amine is sourced from PubChem (CID 105176818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).