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

C16H22N2O2S — CID 61193431

IUPAC2-[1-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]ethyl]-4-methoxyphenol
SMILESCOc1ccc(O)c(C(C)NC(C)c2sc(C)nc2C)c1
InChIInChI=1S/C16H22N2O2S/c1-9(14-8-13(20-5)6-7-15(14)19)17-10(2)16-11(3)18-12(4)21-16/h6-10,17,19H,1-5H3
InChIKeyAPVIXKRKGMTVNI-UHFFFAOYSA-N
MW306.43 g/mol
LogP3.89
Rot. Bonds5

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

2-[1-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]ethyl]-4-methoxyphenol (PubChem CID 61193431) has the molecular formula C16H22N2O2S and a molecular weight of 306.43 g/mol. Its IUPAC name is 2-[1-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]ethyl]-4-methoxyphenol.

Molecular Properties

Compound Name2-[1-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]ethyl]-4-methoxyphenol
PubChem CID61193431
Molecular FormulaC16H22N2O2S
Molecular Weight306.43 g/mol
Exact Mass306.14
IUPAC Name2-[1-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]ethyl]-4-methoxyphenol
SMILESCOc1ccc(O)c(C(C)NC(C)c2sc(C)nc2C)c1
InChIInChI=1S/C16H22N2O2S/c1-9(14-8-13(20-5)6-7-15(14)19)17-10(2)16-11(3)18-12(4)21-16/h6-10,17,19H,1-5H3
InChIKeyAPVIXKRKGMTVNI-UHFFFAOYSA-N
XLogP3.89
TPSA54.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.43
LogP ≤ 53.89
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

2-[1-[1-(2,5-dimethylthiophen-3-yl)ethylamino]ethyl]-4-methoxyphenol
CID 43737447
(1R)-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1-(2-methoxyphenyl)ethanamine
CID 81396845
1-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]ethanamine
CID 63752942
1-(2,5-dimethylphenyl)-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]ethanamine
CID 61193776
2-[1-(hydroxyamino)ethyl]-4-methoxyphenol
CID 82685754
N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1-(2-methylphenyl)ethanamine
CID 61193660
2-[1-[[(1S)-1-(4-fluorophenyl)ethyl]amino]ethyl]-4-methoxyphenol
CID 81351233
N-[(2,5-dimethoxyphenyl)methyl]-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethanamine
CID 61059007
4-[[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]methyl]-2-methoxyphenol
CID 61061276
2-[1-(2-hydroxy-5-methoxyphenyl)ethylamino]propanamide
CID 43545388
(2-hydroxy-5-methoxyphenyl)methanediol
CID 69473075
4-methoxy-2-[1-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]ethyl]phenol
CID 43703184

Frequently Asked Questions

What is the IUPAC name of 2-[1-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]ethyl]-4-methoxyphenol?
The IUPAC name of 2-[1-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]ethyl]-4-methoxyphenol (CID 61193431) is 2-[1-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]ethyl]-4-methoxyphenol.
What is the SMILES notation for 2-[1-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]ethyl]-4-methoxyphenol?
The canonical SMILES for 2-[1-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]ethyl]-4-methoxyphenol is COc1ccc(O)c(C(C)NC(C)c2sc(C)nc2C)c1.
What is the InChIKey of 2-[1-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]ethyl]-4-methoxyphenol?
The InChIKey is APVIXKRKGMTVNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2S/c1-9(14-8-13(20-5)6-7-15(14)19)17-10(2)16-11(3)18-12(4)21-16/h6-10,17,19H,1-5H3.
What are the key properties of 2-[1-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]ethyl]-4-methoxyphenol?
2-[1-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]ethyl]-4-methoxyphenol has a molecular weight of 306.43 g/mol, XLogP of 3.89, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]ethyl]-4-methoxyphenol is sourced from PubChem (CID 61193431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).