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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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).