N-[[2-[2-(2-ethylphenoxy)ethyl]-1,3-thiazol-5-yl]methyl]propan-1-amine

C17H24N2OS — CID 82423840

IUPACN-[[2-[2-(2-ethylphenoxy)ethyl]-1,3-thiazol-5-yl]methyl]propan-1-amine
SMILESCCCNCc1cnc(CCOc2ccccc2CC)s1
InChIInChI=1S/C17H24N2OS/c1-3-10-18-12-15-13-19-17(21-15)9-11-20-16-8-6-5-7-14(16)4-2/h5-8,13,18H,3-4,9-12H2,1-2H3
InChIKeyFHZUQLUNLHNODK-UHFFFAOYSA-N
MW304.46 g/mol
LogP3.83
Rot. Bonds9

About N-[[2-[2-(2-ethylphenoxy)ethyl]-1,3-thiazol-5-yl]methyl]propan-1-amine

N-[[2-[2-(2-ethylphenoxy)ethyl]-1,3-thiazol-5-yl]methyl]propan-1-amine (PubChem CID 82423840) has the molecular formula C17H24N2OS and a molecular weight of 304.46 g/mol. Its IUPAC name is N-[[2-[2-(2-ethylphenoxy)ethyl]-1,3-thiazol-5-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[2-[2-(2-ethylphenoxy)ethyl]-1,3-thiazol-5-yl]methyl]propan-1-amine
PubChem CID82423840
Molecular FormulaC17H24N2OS
Molecular Weight304.46 g/mol
Exact Mass304.16
IUPAC NameN-[[2-[2-(2-ethylphenoxy)ethyl]-1,3-thiazol-5-yl]methyl]propan-1-amine
SMILESCCCNCc1cnc(CCOc2ccccc2CC)s1
InChIInChI=1S/C17H24N2OS/c1-3-10-18-12-15-13-19-17(21-15)9-11-20-16-8-6-5-7-14(16)4-2/h5-8,13,18H,3-4,9-12H2,1-2H3
InChIKeyFHZUQLUNLHNODK-UHFFFAOYSA-N
XLogP3.83
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.46
LogP ≤ 53.83
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

N-[[2-[2-(2-ethylphenoxy)ethyl]-1,3-thiazol-4-yl]methyl]propan-1-amine
CID 82516475
N-[[2-[2-(4-methoxyphenoxy)ethyl]-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 82424084
N-[[2-[(2-methylphenoxy)methyl]-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 82422739
N-[2-(2-ethylphenoxy)ethyl]propan-1-amine
CID 43364346
N-[[2-[2-(4-fluorophenoxy)ethyl]-1,3-thiazol-5-yl]methyl]butan-1-amine
CID 82423990
N-[[2-[2-(dimethylamino)ethyl]-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 82424873
2-(2-ethylphenoxy)-N-(thiophen-2-ylmethyl)ethanamine
CID 39361592
N-[[2-[(2-ethylphenoxy)methyl]phenyl]methyl]propan-1-amine
CID 63496111
N-[[2-[2-(4-fluorophenoxy)ethyl]-1,3-thiazol-5-yl]methyl]ethanamine
CID 82191156
N-[[2-[(4-methylphenyl)methyl]-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 62329930
[2-[(2-ethylphenoxy)methyl]-1,3-thiazol-5-yl]methanol
CID 82190907
N-[[2-[2-(2-methoxyphenoxy)ethyl]-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 82424057

Frequently Asked Questions

What is the IUPAC name of N-[[2-[2-(2-ethylphenoxy)ethyl]-1,3-thiazol-5-yl]methyl]propan-1-amine?
The IUPAC name of N-[[2-[2-(2-ethylphenoxy)ethyl]-1,3-thiazol-5-yl]methyl]propan-1-amine (CID 82423840) is N-[[2-[2-(2-ethylphenoxy)ethyl]-1,3-thiazol-5-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[2-[2-(2-ethylphenoxy)ethyl]-1,3-thiazol-5-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[2-[2-(2-ethylphenoxy)ethyl]-1,3-thiazol-5-yl]methyl]propan-1-amine is CCCNCc1cnc(CCOc2ccccc2CC)s1.
What is the InChIKey of N-[[2-[2-(2-ethylphenoxy)ethyl]-1,3-thiazol-5-yl]methyl]propan-1-amine?
The InChIKey is FHZUQLUNLHNODK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2OS/c1-3-10-18-12-15-13-19-17(21-15)9-11-20-16-8-6-5-7-14(16)4-2/h5-8,13,18H,3-4,9-12H2,1-2H3.
What are the key properties of N-[[2-[2-(2-ethylphenoxy)ethyl]-1,3-thiazol-5-yl]methyl]propan-1-amine?
N-[[2-[2-(2-ethylphenoxy)ethyl]-1,3-thiazol-5-yl]methyl]propan-1-amine has a molecular weight of 304.46 g/mol, XLogP of 3.83, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[2-(2-ethylphenoxy)ethyl]-1,3-thiazol-5-yl]methyl]propan-1-amine is sourced from PubChem (CID 82423840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).