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

C15H20N2O2S — CID 103913810

IUPAC4-methoxy-2-[1-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]ethyl]phenol
SMILESCOc1ccc(O)c(C(C)NCCc2csc(C)n2)c1
InChIInChI=1S/C15H20N2O2S/c1-10(14-8-13(19-3)4-5-15(14)18)16-7-6-12-9-20-11(2)17-12/h4-5,8-10,16,18H,6-7H2,1-3H3
InChIKeyMVOJIDXDDJRTPO-UHFFFAOYSA-N
MW292.40 g/mol
LogP3.06
Rot. Bonds6

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

4-methoxy-2-[1-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]ethyl]phenol (PubChem CID 103913810) has the molecular formula C15H20N2O2S and a molecular weight of 292.40 g/mol. Its IUPAC name is 4-methoxy-2-[1-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]ethyl]phenol.

Molecular Properties

Compound Name4-methoxy-2-[1-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]ethyl]phenol
PubChem CID103913810
Molecular FormulaC15H20N2O2S
Molecular Weight292.40 g/mol
Exact Mass292.12
IUPAC Name4-methoxy-2-[1-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]ethyl]phenol
SMILESCOc1ccc(O)c(C(C)NCCc2csc(C)n2)c1
InChIInChI=1S/C15H20N2O2S/c1-10(14-8-13(19-3)4-5-15(14)18)16-7-6-12-9-20-11(2)17-12/h4-5,8-10,16,18H,6-7H2,1-3H3
InChIKeyMVOJIDXDDJRTPO-UHFFFAOYSA-N
XLogP3.06
TPSA54.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

1-(2-methoxyphenyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]ethanamine
CID 103777151
4-methoxy-2-[1-(2-pyridin-2-ylethylamino)ethyl]phenol
CID 43193672
2-[1-[2-(4-hydroxyphenyl)ethylamino]ethyl]-4-methoxyphenol
CID 61237640
N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1-(2,4,5-trimethylphenyl)ethanamine
CID 103777248
2-[1-[2-(4-chlorophenyl)ethylamino]ethyl]-4-methoxyphenol
CID 43110122
2-[1-[2-(dimethylamino)ethylamino]ethyl]-4-methoxyphenol
CID 16775145
2-[1-(3-aminopropylamino)ethyl]-4-methoxyphenol
CID 60889873
2-[1-(2-ethylsulfonylethylamino)ethyl]-4-methoxyphenol
CID 104582220
1-(2,4-dichlorophenyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]ethanamine
CID 103776206
2-[1-[3-(dimethylamino)propylamino]ethyl]-4-methoxyphenol
CID 43195776
2,4-dimethoxy-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]benzenesulfonamide
CID 112500676
N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1-(2,3,4-trichlorophenyl)ethanamine
CID 106038911

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-[1-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]ethyl]phenol?
The IUPAC name of 4-methoxy-2-[1-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]ethyl]phenol (CID 103913810) is 4-methoxy-2-[1-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]ethyl]phenol.
What is the SMILES notation for 4-methoxy-2-[1-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]ethyl]phenol?
The canonical SMILES for 4-methoxy-2-[1-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]ethyl]phenol is COc1ccc(O)c(C(C)NCCc2csc(C)n2)c1.
What is the InChIKey of 4-methoxy-2-[1-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]ethyl]phenol?
The InChIKey is MVOJIDXDDJRTPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2S/c1-10(14-8-13(19-3)4-5-15(14)18)16-7-6-12-9-20-11(2)17-12/h4-5,8-10,16,18H,6-7H2,1-3H3.
What are the key properties of 4-methoxy-2-[1-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]ethyl]phenol?
4-methoxy-2-[1-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]ethyl]phenol has a molecular weight of 292.40 g/mol, XLogP of 3.06, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-[1-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]ethyl]phenol is sourced from PubChem (CID 103913810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).