1-[4-ethyl-2-(2-phenoxyethyl)-1,3-thiazol-5-yl]ethanamine

C15H20N2OS — CID 82429713

IUPAC1-[4-ethyl-2-(2-phenoxyethyl)-1,3-thiazol-5-yl]ethanamine
SMILESCCc1nc(CCOc2ccccc2)sc1C(C)N
InChIInChI=1S/C15H20N2OS/c1-3-13-15(11(2)16)19-14(17-13)9-10-18-12-7-5-4-6-8-12/h4-8,11H,3,9-10,16H2,1-2H3
InChIKeyARHCRJRMPZJUTR-UHFFFAOYSA-N
MW276.40 g/mol
LogP3.35
Rot. Bonds6

About 1-[4-ethyl-2-(2-phenoxyethyl)-1,3-thiazol-5-yl]ethanamine

1-[4-ethyl-2-(2-phenoxyethyl)-1,3-thiazol-5-yl]ethanamine (PubChem CID 82429713) has the molecular formula C15H20N2OS and a molecular weight of 276.40 g/mol. Its IUPAC name is 1-[4-ethyl-2-(2-phenoxyethyl)-1,3-thiazol-5-yl]ethanamine.

Molecular Properties

Compound Name1-[4-ethyl-2-(2-phenoxyethyl)-1,3-thiazol-5-yl]ethanamine
PubChem CID82429713
Molecular FormulaC15H20N2OS
Molecular Weight276.40 g/mol
Exact Mass276.13
IUPAC Name1-[4-ethyl-2-(2-phenoxyethyl)-1,3-thiazol-5-yl]ethanamine
SMILESCCc1nc(CCOc2ccccc2)sc1C(C)N
InChIInChI=1S/C15H20N2OS/c1-3-13-15(11(2)16)19-14(17-13)9-10-18-12-7-5-4-6-8-12/h4-8,11H,3,9-10,16H2,1-2H3
InChIKeyARHCRJRMPZJUTR-UHFFFAOYSA-N
XLogP3.35
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.40
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-ethyl-2-[2-(3-methylphenoxy)ethyl]-1,3-thiazol-5-yl]ethanamine
CID 82429743
1-[4-ethyl-2-[2-(2-methylphenoxy)ethyl]-1,3-thiazol-5-yl]ethanamine
CID 82429728
N-[[4-ethyl-2-(2-phenoxyethyl)-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 82429699
2-[4-ethyl-2-(2-phenoxyethyl)-1,3-thiazol-5-yl]propan-2-ol
CID 82429708
1-[4-ethyl-2-(4-propoxyphenyl)-1,3-thiazol-5-yl]ethanamine
CID 82430113
[4-ethyl-2-[2-(4-propan-2-ylphenoxy)ethyl]-1,3-thiazol-5-yl]methanamine
CID 82429771
5-ethyl-2-(2-phenoxyethyl)-1,3-thiazole-4-carboxylic acid
CID 117098876
[4-ethyl-2-[2-(3-methylphenoxy)ethyl]-1,3-thiazol-5-yl]methanamine
CID 82429739
1-[2-[(2-ethylphenoxy)methyl]-4-(methoxymethyl)-1,3-thiazol-5-yl]ethanamine
CID 82440458
4-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethoxy]benzoic acid
CID 83967534
1-[4-ethyl-2-[2-(4-methoxyphenoxy)ethyl]-1,3-thiazol-5-yl]ethanone
CID 82429925
[2-[2-(4-ethylphenoxy)ethyl]-4-propyl-1,3-thiazol-5-yl]methanamine
CID 82432505

Frequently Asked Questions

What is the IUPAC name of 1-[4-ethyl-2-(2-phenoxyethyl)-1,3-thiazol-5-yl]ethanamine?
The IUPAC name of 1-[4-ethyl-2-(2-phenoxyethyl)-1,3-thiazol-5-yl]ethanamine (CID 82429713) is 1-[4-ethyl-2-(2-phenoxyethyl)-1,3-thiazol-5-yl]ethanamine.
What is the SMILES notation for 1-[4-ethyl-2-(2-phenoxyethyl)-1,3-thiazol-5-yl]ethanamine?
The canonical SMILES for 1-[4-ethyl-2-(2-phenoxyethyl)-1,3-thiazol-5-yl]ethanamine is CCc1nc(CCOc2ccccc2)sc1C(C)N.
What is the InChIKey of 1-[4-ethyl-2-(2-phenoxyethyl)-1,3-thiazol-5-yl]ethanamine?
The InChIKey is ARHCRJRMPZJUTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2OS/c1-3-13-15(11(2)16)19-14(17-13)9-10-18-12-7-5-4-6-8-12/h4-8,11H,3,9-10,16H2,1-2H3.
What are the key properties of 1-[4-ethyl-2-(2-phenoxyethyl)-1,3-thiazol-5-yl]ethanamine?
1-[4-ethyl-2-(2-phenoxyethyl)-1,3-thiazol-5-yl]ethanamine has a molecular weight of 276.40 g/mol, XLogP of 3.35, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-ethyl-2-(2-phenoxyethyl)-1,3-thiazol-5-yl]ethanamine is sourced from PubChem (CID 82429713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).