2-methoxy-5-[[1-(4-methyl-1,3-thiazol-2-yl)ethylamino]methyl]phenol

C14H18N2O2S — CID 63090176

IUPAC2-methoxy-5-[[1-(4-methyl-1,3-thiazol-2-yl)ethylamino]methyl]phenol
SMILESCOc1ccc(CNC(C)c2nc(C)cs2)cc1O
InChIInChI=1S/C14H18N2O2S/c1-9-8-19-14(16-9)10(2)15-7-11-4-5-13(18-3)12(17)6-11/h4-6,8,10,15,17H,7H2,1-3H3
InChIKeyCYUHBZAKTDIYND-UHFFFAOYSA-N
MW278.38 g/mol
LogP3.02
Rot. Bonds5

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

2-methoxy-5-[[1-(4-methyl-1,3-thiazol-2-yl)ethylamino]methyl]phenol (PubChem CID 63090176) has the molecular formula C14H18N2O2S and a molecular weight of 278.38 g/mol. Its IUPAC name is 2-methoxy-5-[[1-(4-methyl-1,3-thiazol-2-yl)ethylamino]methyl]phenol.

Molecular Properties

Compound Name2-methoxy-5-[[1-(4-methyl-1,3-thiazol-2-yl)ethylamino]methyl]phenol
PubChem CID63090176
Molecular FormulaC14H18N2O2S
Molecular Weight278.38 g/mol
Exact Mass278.11
IUPAC Name2-methoxy-5-[[1-(4-methyl-1,3-thiazol-2-yl)ethylamino]methyl]phenol
SMILESCOc1ccc(CNC(C)c2nc(C)cs2)cc1O
InChIInChI=1S/C14H18N2O2S/c1-9-8-19-14(16-9)10(2)15-7-11-4-5-13(18-3)12(17)6-11/h4-6,8,10,15,17H,7H2,1-3H3
InChIKeyCYUHBZAKTDIYND-UHFFFAOYSA-N
XLogP3.02
TPSA54.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-methoxy-5-[[1-(1,3-thiazol-2-yl)ethylamino]methyl]phenol
CID 63597926
N-[(3-methoxyphenyl)methyl]-1-(4-methyl-1,3-thiazol-2-yl)ethanamine
CID 63096278
5-methoxy-2-[[1-(4-methyl-1,3-thiazol-2-yl)ethylamino]methyl]phenol
CID 63089655
N-[(3,4-dibromophenyl)methyl]-1-(4-methyl-1,3-thiazol-2-yl)ethanamine
CID 115693156
2-methoxy-5-[[1-(4-methoxyphenyl)ethylamino]methyl]phenol
CID 62048765
2-methoxy-5-[[[(1S)-1-(4-methylphenyl)ethyl]amino]methyl]phenol
CID 81349097
N-[(3-chlorophenyl)methyl]-1-(4-methyl-1,3-thiazol-2-yl)ethanamine
CID 63096277
2-methoxy-5-[[1-(2-methoxyphenyl)ethylamino]methyl]phenol
CID 43180902
2-methoxy-5-[[[(1R)-1-(5-methylfuran-2-yl)ethyl]amino]methyl]phenol
CID 93026528
5-[[[(1S)-1-(2-bromophenyl)ethyl]amino]methyl]-2-methoxyphenol
CID 51675565
2-methoxy-5-[[1-(5-methylfuran-2-yl)ethylamino]methyl]phenol;hydrochloride
CID 47008363
5-[[[(1R)-1-(4-chlorophenyl)ethyl]amino]methyl]-2-methoxyphenol
CID 28645174

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-[[1-(4-methyl-1,3-thiazol-2-yl)ethylamino]methyl]phenol?
The IUPAC name of 2-methoxy-5-[[1-(4-methyl-1,3-thiazol-2-yl)ethylamino]methyl]phenol (CID 63090176) is 2-methoxy-5-[[1-(4-methyl-1,3-thiazol-2-yl)ethylamino]methyl]phenol.
What is the SMILES notation for 2-methoxy-5-[[1-(4-methyl-1,3-thiazol-2-yl)ethylamino]methyl]phenol?
The canonical SMILES for 2-methoxy-5-[[1-(4-methyl-1,3-thiazol-2-yl)ethylamino]methyl]phenol is COc1ccc(CNC(C)c2nc(C)cs2)cc1O.
What is the InChIKey of 2-methoxy-5-[[1-(4-methyl-1,3-thiazol-2-yl)ethylamino]methyl]phenol?
The InChIKey is CYUHBZAKTDIYND-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2S/c1-9-8-19-14(16-9)10(2)15-7-11-4-5-13(18-3)12(17)6-11/h4-6,8,10,15,17H,7H2,1-3H3.
What are the key properties of 2-methoxy-5-[[1-(4-methyl-1,3-thiazol-2-yl)ethylamino]methyl]phenol?
2-methoxy-5-[[1-(4-methyl-1,3-thiazol-2-yl)ethylamino]methyl]phenol has a molecular weight of 278.38 g/mol, XLogP of 3.02, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-[[1-(4-methyl-1,3-thiazol-2-yl)ethylamino]methyl]phenol is sourced from PubChem (CID 63090176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).