4-[[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]methyl]-2-methoxyphenol

C15H20N2O2S — CID 61061276

IUPAC4-[[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]methyl]-2-methoxyphenol
SMILESCOc1cc(CNC(C)c2sc(C)nc2C)ccc1O
InChIInChI=1S/C15H20N2O2S/c1-9(15-10(2)17-11(3)20-15)16-8-12-5-6-13(18)14(7-12)19-4/h5-7,9,16,18H,8H2,1-4H3
InChIKeyODGIBTZNCNAEIO-UHFFFAOYSA-N
MW292.40 g/mol
LogP3.32
Rot. Bonds5

About 4-[[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]methyl]-2-methoxyphenol

4-[[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]methyl]-2-methoxyphenol (PubChem CID 61061276) has the molecular formula C15H20N2O2S and a molecular weight of 292.40 g/mol. Its IUPAC name is 4-[[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]methyl]-2-methoxyphenol.

Molecular Properties

Compound Name4-[[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]methyl]-2-methoxyphenol
PubChem CID61061276
Molecular FormulaC15H20N2O2S
Molecular Weight292.40 g/mol
Exact Mass292.12
IUPAC Name4-[[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]methyl]-2-methoxyphenol
SMILESCOc1cc(CNC(C)c2sc(C)nc2C)ccc1O
InChIInChI=1S/C15H20N2O2S/c1-9(15-10(2)17-11(3)20-15)16-8-12-5-6-13(18)14(7-12)19-4/h5-7,9,16,18H,8H2,1-4H3
InChIKeyODGIBTZNCNAEIO-UHFFFAOYSA-N
XLogP3.32
TPSA54.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]methyl]-2-methoxybenzonitrile
CID 106787199
2-methoxy-4-[[1-(5-methylthiophen-2-yl)ethylamino]methyl]phenol
CID 61473264
(1S)-1-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]ethanamine
CID 94600233
N-[(2,5-dimethoxyphenyl)methyl]-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethanamine
CID 61059007
2-methoxy-4-[[[(1S)-1-(4-methylphenyl)ethyl]amino]methyl]phenol
CID 81348669
1-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[(4-propan-2-ylphenyl)methyl]ethanamine
CID 61060387
2-methoxy-4-[[[(1S)-1-(2-methoxyphenyl)ethyl]amino]methyl]phenol
CID 28624338
2-methoxy-4-[[1-(2-methylphenyl)ethylamino]methyl]phenol
CID 43181528
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
N-[[3-(difluoromethyl)phenyl]methyl]-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethanamine
CID 115526384
2-methoxy-4-[[[(1R)-1-(3-methylphenyl)ethyl]amino]methyl]phenol
CID 81364019

Frequently Asked Questions

What is the IUPAC name of 4-[[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]methyl]-2-methoxyphenol?
The IUPAC name of 4-[[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]methyl]-2-methoxyphenol (CID 61061276) is 4-[[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]methyl]-2-methoxyphenol.
What is the SMILES notation for 4-[[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]methyl]-2-methoxyphenol?
The canonical SMILES for 4-[[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]methyl]-2-methoxyphenol is COc1cc(CNC(C)c2sc(C)nc2C)ccc1O.
What is the InChIKey of 4-[[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]methyl]-2-methoxyphenol?
The InChIKey is ODGIBTZNCNAEIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2S/c1-9(15-10(2)17-11(3)20-15)16-8-12-5-6-13(18)14(7-12)19-4/h5-7,9,16,18H,8H2,1-4H3.
What are the key properties of 4-[[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]methyl]-2-methoxyphenol?
4-[[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]methyl]-2-methoxyphenol has a molecular weight of 292.40 g/mol, XLogP of 3.32, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]methyl]-2-methoxyphenol is sourced from PubChem (CID 61061276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).