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

C13H16N2O2S — CID 63597926

IUPAC2-methoxy-5-[[1-(1,3-thiazol-2-yl)ethylamino]methyl]phenol
SMILESCOc1ccc(CNC(C)c2nccs2)cc1O
InChIInChI=1S/C13H16N2O2S/c1-9(13-14-5-6-18-13)15-8-10-3-4-12(17-2)11(16)7-10/h3-7,9,15-16H,8H2,1-2H3
InChIKeyRVEQJSXLRMEBOJ-UHFFFAOYSA-N
MW264.35 g/mol
LogP2.71
Rot. Bonds5

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

2-methoxy-5-[[1-(1,3-thiazol-2-yl)ethylamino]methyl]phenol (PubChem CID 63597926) has the molecular formula C13H16N2O2S and a molecular weight of 264.35 g/mol. Its IUPAC name is 2-methoxy-5-[[1-(1,3-thiazol-2-yl)ethylamino]methyl]phenol.

Molecular Properties

Compound Name2-methoxy-5-[[1-(1,3-thiazol-2-yl)ethylamino]methyl]phenol
PubChem CID63597926
Molecular FormulaC13H16N2O2S
Molecular Weight264.35 g/mol
Exact Mass264.09
IUPAC Name2-methoxy-5-[[1-(1,3-thiazol-2-yl)ethylamino]methyl]phenol
SMILESCOc1ccc(CNC(C)c2nccs2)cc1O
InChIInChI=1S/C13H16N2O2S/c1-9(13-14-5-6-18-13)15-8-10-3-4-12(17-2)11(16)7-10/h3-7,9,15-16H,8H2,1-2H3
InChIKeyRVEQJSXLRMEBOJ-UHFFFAOYSA-N
XLogP2.71
TPSA54.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3,4-dimethoxyphenyl)methyl]-1-(1,3-thiazol-2-yl)ethanamine
CID 63599693
2-methoxy-5-[[1-(4-methyl-1,3-thiazol-2-yl)ethylamino]methyl]phenol
CID 63090176
N-[(3,4-dimethylphenyl)methyl]-1-(1,3-thiazol-2-yl)ethanamine
CID 63599165
2-methoxy-5-[[1-(2-methoxyphenyl)ethylamino]methyl]phenol
CID 43180902
N-[(3-fluoro-4-methylphenyl)methyl]-1-(1,3-thiazol-2-yl)ethanamine
CID 63867557
(1R)-N-(pyridin-4-ylmethyl)-1-(1,3-thiazol-2-yl)ethanamine
CID 95366218
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-[[2-(aminomethyl)-4-pyridinyl]methyl]-1-(1,3-thiazol-2-yl)ethanamine
CID 114326972
N-[(3-ethoxyphenyl)methyl]-1-(1,3-thiazol-2-yl)ethanamine
CID 63612191
N-[(3-bromo-4-chlorophenyl)methyl]-1-(1,3-thiazol-2-yl)ethanamine
CID 83235908
N-[(3-chloro-4-fluorophenyl)methyl]-1-(1,3-thiazol-2-yl)ethanamine
CID 64990503

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-[[1-(1,3-thiazol-2-yl)ethylamino]methyl]phenol?
The IUPAC name of 2-methoxy-5-[[1-(1,3-thiazol-2-yl)ethylamino]methyl]phenol (CID 63597926) is 2-methoxy-5-[[1-(1,3-thiazol-2-yl)ethylamino]methyl]phenol.
What is the SMILES notation for 2-methoxy-5-[[1-(1,3-thiazol-2-yl)ethylamino]methyl]phenol?
The canonical SMILES for 2-methoxy-5-[[1-(1,3-thiazol-2-yl)ethylamino]methyl]phenol is COc1ccc(CNC(C)c2nccs2)cc1O.
What is the InChIKey of 2-methoxy-5-[[1-(1,3-thiazol-2-yl)ethylamino]methyl]phenol?
The InChIKey is RVEQJSXLRMEBOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2S/c1-9(13-14-5-6-18-13)15-8-10-3-4-12(17-2)11(16)7-10/h3-7,9,15-16H,8H2,1-2H3.
What are the key properties of 2-methoxy-5-[[1-(1,3-thiazol-2-yl)ethylamino]methyl]phenol?
2-methoxy-5-[[1-(1,3-thiazol-2-yl)ethylamino]methyl]phenol has a molecular weight of 264.35 g/mol, XLogP of 2.71, 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-(1,3-thiazol-2-yl)ethylamino]methyl]phenol is sourced from PubChem (CID 63597926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).