2-[2-[3-(diethylaminomethyl)phenyl]-1,3-thiazol-4-yl]ethanamine

C16H23N3S — CID 82135835

IUPAC2-[2-[3-(diethylaminomethyl)phenyl]-1,3-thiazol-4-yl]ethanamine
SMILESCCN(CC)Cc1cccc(-c2nc(CCN)cs2)c1
InChIInChI=1S/C16H23N3S/c1-3-19(4-2)11-13-6-5-7-14(10-13)16-18-15(8-9-17)12-20-16/h5-7,10,12H,3-4,8-9,11,17H2,1-2H3
InChIKeyFQDWGVLGWIHKNE-UHFFFAOYSA-N
MW289.45 g/mol
LogP3.15
Rot. Bonds7

About 2-[2-[3-(diethylaminomethyl)phenyl]-1,3-thiazol-4-yl]ethanamine

2-[2-[3-(diethylaminomethyl)phenyl]-1,3-thiazol-4-yl]ethanamine (PubChem CID 82135835) has the molecular formula C16H23N3S and a molecular weight of 289.45 g/mol. Its IUPAC name is 2-[2-[3-(diethylaminomethyl)phenyl]-1,3-thiazol-4-yl]ethanamine.

Molecular Properties

Compound Name2-[2-[3-(diethylaminomethyl)phenyl]-1,3-thiazol-4-yl]ethanamine
PubChem CID82135835
Molecular FormulaC16H23N3S
Molecular Weight289.45 g/mol
Exact Mass289.16
IUPAC Name2-[2-[3-(diethylaminomethyl)phenyl]-1,3-thiazol-4-yl]ethanamine
SMILESCCN(CC)Cc1cccc(-c2nc(CCN)cs2)c1
InChIInChI=1S/C16H23N3S/c1-3-19(4-2)11-13-6-5-7-14(10-13)16-18-15(8-9-17)12-20-16/h5-7,10,12H,3-4,8-9,11,17H2,1-2H3
InChIKeyFQDWGVLGWIHKNE-UHFFFAOYSA-N
XLogP3.15
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.45
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[3-(diethylaminomethyl)phenyl]-1,3-thiazol-4-yl]ethanamine?
The IUPAC name of 2-[2-[3-(diethylaminomethyl)phenyl]-1,3-thiazol-4-yl]ethanamine (CID 82135835) is 2-[2-[3-(diethylaminomethyl)phenyl]-1,3-thiazol-4-yl]ethanamine.
What is the SMILES notation for 2-[2-[3-(diethylaminomethyl)phenyl]-1,3-thiazol-4-yl]ethanamine?
The canonical SMILES for 2-[2-[3-(diethylaminomethyl)phenyl]-1,3-thiazol-4-yl]ethanamine is CCN(CC)Cc1cccc(-c2nc(CCN)cs2)c1.
What is the InChIKey of 2-[2-[3-(diethylaminomethyl)phenyl]-1,3-thiazol-4-yl]ethanamine?
The InChIKey is FQDWGVLGWIHKNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3S/c1-3-19(4-2)11-13-6-5-7-14(10-13)16-18-15(8-9-17)12-20-16/h5-7,10,12H,3-4,8-9,11,17H2,1-2H3.
What are the key properties of 2-[2-[3-(diethylaminomethyl)phenyl]-1,3-thiazol-4-yl]ethanamine?
2-[2-[3-(diethylaminomethyl)phenyl]-1,3-thiazol-4-yl]ethanamine has a molecular weight of 289.45 g/mol, XLogP of 3.15, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[3-(diethylaminomethyl)phenyl]-1,3-thiazol-4-yl]ethanamine is sourced from PubChem (CID 82135835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).