5-ethoxy-1-(2-methyl-1,3-thiazol-4-yl)-N-propylpentan-2-amine

C14H26N2OS — CID 105159138

IUPAC5-ethoxy-1-(2-methyl-1,3-thiazol-4-yl)-N-propylpentan-2-amine
SMILESCCCNC(CCCOCC)Cc1csc(C)n1
InChIInChI=1S/C14H26N2OS/c1-4-8-15-13(7-6-9-17-5-2)10-14-11-18-12(3)16-14/h11,13,15H,4-10H2,1-3H3
InChIKeyAKXGKIAHZYFNGU-UHFFFAOYSA-N
MW270.44 g/mol
LogP3.18
Rot. Bonds10

About 5-ethoxy-1-(2-methyl-1,3-thiazol-4-yl)-N-propylpentan-2-amine

5-ethoxy-1-(2-methyl-1,3-thiazol-4-yl)-N-propylpentan-2-amine (PubChem CID 105159138) has the molecular formula C14H26N2OS and a molecular weight of 270.44 g/mol. Its IUPAC name is 5-ethoxy-1-(2-methyl-1,3-thiazol-4-yl)-N-propylpentan-2-amine.

Molecular Properties

Compound Name5-ethoxy-1-(2-methyl-1,3-thiazol-4-yl)-N-propylpentan-2-amine
PubChem CID105159138
Molecular FormulaC14H26N2OS
Molecular Weight270.44 g/mol
Exact Mass270.18
IUPAC Name5-ethoxy-1-(2-methyl-1,3-thiazol-4-yl)-N-propylpentan-2-amine
SMILESCCCNC(CCCOCC)Cc1csc(C)n1
InChIInChI=1S/C14H26N2OS/c1-4-8-15-13(7-6-9-17-5-2)10-14-11-18-12(3)16-14/h11,13,15H,4-10H2,1-3H3
InChIKeyAKXGKIAHZYFNGU-UHFFFAOYSA-N
XLogP3.18
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.44
LogP ≤ 53.18
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-(2-methyl-1,3-thiazol-4-yl)-N-propylhexan-2-amine
CID 62799003
1-(2-methyl-1,3-thiazol-4-yl)-N-propylheptan-2-amine
CID 55129851
1-(2-methyl-1,3-thiazol-4-yl)-4-phenyl-N-propylbutan-2-amine
CID 62798101
5-ethoxy-N-propyl-1-(2,4,6-trimethylphenyl)pentan-2-amine
CID 105121210
1-cyclopentyl-3-(2-methyl-1,3-thiazol-4-yl)-N-propylpropan-2-amine
CID 62797585
1-(2-methyl-1,3-thiazol-4-yl)-N,3-dipropylhexan-2-amine
CID 104996994
4-(3-methylphenyl)-1-(2-methyl-1,3-thiazol-4-yl)-N-propylbutan-2-amine
CID 105159133
1-(2,6-dichlorophenyl)-3-(2-methyl-1,3-thiazol-4-yl)-N-propylpropan-2-amine
CID 62799001
5-ethoxy-1-(2-ethyl-5-methylpyrazol-3-yl)-N-propylpentan-2-amine
CID 105162468
1-(2-methyl-1,3-thiazol-4-yl)pentan-2-ylhydrazine
CID 105202230
N,6-dimethyl-1-(2-methyl-1,3-thiazol-4-yl)heptan-2-amine
CID 83162096
N-(2-butoxyethyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanamine
CID 106045200

Frequently Asked Questions

What is the IUPAC name of 5-ethoxy-1-(2-methyl-1,3-thiazol-4-yl)-N-propylpentan-2-amine?
The IUPAC name of 5-ethoxy-1-(2-methyl-1,3-thiazol-4-yl)-N-propylpentan-2-amine (CID 105159138) is 5-ethoxy-1-(2-methyl-1,3-thiazol-4-yl)-N-propylpentan-2-amine.
What is the SMILES notation for 5-ethoxy-1-(2-methyl-1,3-thiazol-4-yl)-N-propylpentan-2-amine?
The canonical SMILES for 5-ethoxy-1-(2-methyl-1,3-thiazol-4-yl)-N-propylpentan-2-amine is CCCNC(CCCOCC)Cc1csc(C)n1.
What is the InChIKey of 5-ethoxy-1-(2-methyl-1,3-thiazol-4-yl)-N-propylpentan-2-amine?
The InChIKey is AKXGKIAHZYFNGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2OS/c1-4-8-15-13(7-6-9-17-5-2)10-14-11-18-12(3)16-14/h11,13,15H,4-10H2,1-3H3.
What are the key properties of 5-ethoxy-1-(2-methyl-1,3-thiazol-4-yl)-N-propylpentan-2-amine?
5-ethoxy-1-(2-methyl-1,3-thiazol-4-yl)-N-propylpentan-2-amine has a molecular weight of 270.44 g/mol, XLogP of 3.18, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethoxy-1-(2-methyl-1,3-thiazol-4-yl)-N-propylpentan-2-amine is sourced from PubChem (CID 105159138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).