N-ethyl-1-[5-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]-2-pyridinyl]ethanamine

C15H21N3OS — CID 83126880

IUPACN-ethyl-1-[5-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]-2-pyridinyl]ethanamine
SMILESCCNC(C)c1ccc(OCCc2scnc2C)cn1
InChIInChI=1S/C15H21N3OS/c1-4-16-11(2)14-6-5-13(9-17-14)19-8-7-15-12(3)18-10-20-15/h5-6,9-11,16H,4,7-8H2,1-3H3
InChIKeyWXGRJQBBFGFUQC-UHFFFAOYSA-N
MW291.42 g/mol
LogP3.14
Rot. Bonds7

About N-ethyl-1-[5-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]-2-pyridinyl]ethanamine

N-ethyl-1-[5-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]-2-pyridinyl]ethanamine (PubChem CID 83126880) has the molecular formula C15H21N3OS and a molecular weight of 291.42 g/mol. Its IUPAC name is N-ethyl-1-[5-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]-2-pyridinyl]ethanamine.

Molecular Properties

Compound NameN-ethyl-1-[5-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]-2-pyridinyl]ethanamine
PubChem CID83126880
Molecular FormulaC15H21N3OS
Molecular Weight291.42 g/mol
Exact Mass291.14
IUPAC NameN-ethyl-1-[5-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]-2-pyridinyl]ethanamine
SMILESCCNC(C)c1ccc(OCCc2scnc2C)cn1
InChIInChI=1S/C15H21N3OS/c1-4-16-11(2)14-6-5-13(9-17-14)19-8-7-15-12(3)18-10-20-15/h5-6,9-11,16H,4,7-8H2,1-3H3
InChIKeyWXGRJQBBFGFUQC-UHFFFAOYSA-N
XLogP3.14
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.42
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-1-(5-heptoxy-2-pyridinyl)ethanamine
CID 83124328
6-[1-(ethylamino)ethyl]-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyridin-3-amine
CID 83127304
N-ethyl-1-[5-(3-pyridin-4-ylpropoxy)-2-pyridinyl]ethanamine
CID 83109421
N-ethyl-1-[5-fluoro-2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]phenyl]ethanamine
CID 43285209
N-ethyl-1-[5-(4-methylphenoxy)-2-pyridinyl]ethanamine
CID 83128001
N-[1-[5-(2-thiophen-2-ylethoxy)-2-pyridinyl]ethyl]propan-1-amine
CID 83124267
N-ethyl-1-[5-[2-(3-methoxypropoxy)ethoxy]-2-pyridinyl]ethanamine
CID 103178120
N-ethyl-1-[5-(3-fluoro-4-methylphenoxy)-2-pyridinyl]ethanamine
CID 107169528
N-ethyl-1-[5-(4-propan-2-ylphenoxy)-2-pyridinyl]ethanamine
CID 83111971
N-ethyl-1-[3-[2-(4-methyl-1,3-thiazol-5-yl)ethylsulfanyl]phenyl]ethanamine
CID 64666328
3-[[6-[1-(propylamino)ethyl]-3-pyridinyl]oxy]propan-1-ol
CID 83124172
N-ethyl-4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]pentan-1-amine
CID 62444186

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-[5-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]-2-pyridinyl]ethanamine?
The IUPAC name of N-ethyl-1-[5-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]-2-pyridinyl]ethanamine (CID 83126880) is N-ethyl-1-[5-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]-2-pyridinyl]ethanamine.
What is the SMILES notation for N-ethyl-1-[5-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]-2-pyridinyl]ethanamine?
The canonical SMILES for N-ethyl-1-[5-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]-2-pyridinyl]ethanamine is CCNC(C)c1ccc(OCCc2scnc2C)cn1.
What is the InChIKey of N-ethyl-1-[5-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]-2-pyridinyl]ethanamine?
The InChIKey is WXGRJQBBFGFUQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3OS/c1-4-16-11(2)14-6-5-13(9-17-14)19-8-7-15-12(3)18-10-20-15/h5-6,9-11,16H,4,7-8H2,1-3H3.
What are the key properties of N-ethyl-1-[5-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]-2-pyridinyl]ethanamine?
N-ethyl-1-[5-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]-2-pyridinyl]ethanamine has a molecular weight of 291.42 g/mol, XLogP of 3.14, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-[5-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]-2-pyridinyl]ethanamine is sourced from PubChem (CID 83126880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).