2-[4-[[1-(2-ethyl-4-methyl-1,3-thiazol-5-yl)ethylamino]methyl]phenoxy]ethanol

C17H24N2O2S — CID 136520191

IUPAC2-[4-[[1-(2-ethyl-4-methyl-1,3-thiazol-5-yl)ethylamino]methyl]phenoxy]ethanol
SMILESCCc1nc(C)c(C(C)NCc2ccc(OCCO)cc2)s1
InChIInChI=1S/C17H24N2O2S/c1-4-16-19-13(3)17(22-16)12(2)18-11-14-5-7-15(8-6-14)21-10-9-20/h5-8,12,18,20H,4,9-11H2,1-3H3
InChIKeyJCSPKOHOPPDLRC-UHFFFAOYSA-N
MW320.46 g/mol
LogP3.24
Rot. Bonds8

About 2-[4-[[1-(2-ethyl-4-methyl-1,3-thiazol-5-yl)ethylamino]methyl]phenoxy]ethanol

2-[4-[[1-(2-ethyl-4-methyl-1,3-thiazol-5-yl)ethylamino]methyl]phenoxy]ethanol (PubChem CID 136520191) has the molecular formula C17H24N2O2S and a molecular weight of 320.46 g/mol. Its IUPAC name is 2-[4-[[1-(2-ethyl-4-methyl-1,3-thiazol-5-yl)ethylamino]methyl]phenoxy]ethanol.

Molecular Properties

Compound Name2-[4-[[1-(2-ethyl-4-methyl-1,3-thiazol-5-yl)ethylamino]methyl]phenoxy]ethanol
PubChem CID136520191
Molecular FormulaC17H24N2O2S
Molecular Weight320.46 g/mol
Exact Mass320.16
IUPAC Name2-[4-[[1-(2-ethyl-4-methyl-1,3-thiazol-5-yl)ethylamino]methyl]phenoxy]ethanol
SMILESCCc1nc(C)c(C(C)NCc2ccc(OCCO)cc2)s1
InChIInChI=1S/C17H24N2O2S/c1-4-16-19-13(3)17(22-16)12(2)18-11-14-5-7-15(8-6-14)21-10-9-20/h5-8,12,18,20H,4,9-11H2,1-3H3
InChIKeyJCSPKOHOPPDLRC-UHFFFAOYSA-N
XLogP3.24
TPSA54.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.46
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[(4-propoxyphenyl)methyl]ethanamine
CID 61059460
N-[1-(2-ethyl-4-methyl-1,3-thiazol-5-yl)ethyl]-2-methylprop-2-en-1-amine
CID 119034593
1-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[(4-propan-2-ylphenyl)methyl]ethanamine
CID 61060387
N-(cyclobutylmethyl)-1-(2-ethyl-4-methyl-1,3-thiazol-5-yl)ethanamine
CID 115713252
1-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(pyridin-4-ylmethyl)ethanamine
CID 61060970
4-[[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]methyl]-N,N-dimethylaniline
CID 61061113
2-[(4-propoxyphenyl)methylamino]propan-1-ol
CID 43499524
(1R)-1-(4-methylphenyl)-N-[(4-propoxyphenyl)methyl]ethanamine
CID 81347006
N-[1-(2-ethyl-4-methyl-1,3-thiazol-5-yl)ethyl]butan-2-amine
CID 115705663
2-[4-(propylaminomethyl)phenoxy]ethanol
CID 17213252
2-[4-[(3-methylbutylamino)methyl]phenoxy]ethanol
CID 17210721
(1S)-N-[(4-butoxyphenyl)methyl]-1-pyridin-4-ylethanamine
CID 28644901

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[1-(2-ethyl-4-methyl-1,3-thiazol-5-yl)ethylamino]methyl]phenoxy]ethanol?
The IUPAC name of 2-[4-[[1-(2-ethyl-4-methyl-1,3-thiazol-5-yl)ethylamino]methyl]phenoxy]ethanol (CID 136520191) is 2-[4-[[1-(2-ethyl-4-methyl-1,3-thiazol-5-yl)ethylamino]methyl]phenoxy]ethanol.
What is the SMILES notation for 2-[4-[[1-(2-ethyl-4-methyl-1,3-thiazol-5-yl)ethylamino]methyl]phenoxy]ethanol?
The canonical SMILES for 2-[4-[[1-(2-ethyl-4-methyl-1,3-thiazol-5-yl)ethylamino]methyl]phenoxy]ethanol is CCc1nc(C)c(C(C)NCc2ccc(OCCO)cc2)s1.
What is the InChIKey of 2-[4-[[1-(2-ethyl-4-methyl-1,3-thiazol-5-yl)ethylamino]methyl]phenoxy]ethanol?
The InChIKey is JCSPKOHOPPDLRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2S/c1-4-16-19-13(3)17(22-16)12(2)18-11-14-5-7-15(8-6-14)21-10-9-20/h5-8,12,18,20H,4,9-11H2,1-3H3.
What are the key properties of 2-[4-[[1-(2-ethyl-4-methyl-1,3-thiazol-5-yl)ethylamino]methyl]phenoxy]ethanol?
2-[4-[[1-(2-ethyl-4-methyl-1,3-thiazol-5-yl)ethylamino]methyl]phenoxy]ethanol has a molecular weight of 320.46 g/mol, XLogP of 3.24, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[1-(2-ethyl-4-methyl-1,3-thiazol-5-yl)ethylamino]methyl]phenoxy]ethanol is sourced from PubChem (CID 136520191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).