1-(3-methoxyphenyl)-2-[[2-(phenoxymethyl)-1,3-thiazol-4-yl]methylamino]ethanol

C20H22N2O3S — CID 154748611

IUPAC1-(3-methoxyphenyl)-2-[[2-(phenoxymethyl)-1,3-thiazol-4-yl]methylamino]ethanol
SMILESCOc1cccc(C(O)CNCc2csc(COc3ccccc3)n2)c1
InChIInChI=1S/C20H22N2O3S/c1-24-18-9-5-6-15(10-18)19(23)12-21-11-16-14-26-20(22-16)13-25-17-7-3-2-4-8-17/h2-10,14,19,21,23H,11-13H2,1H3
InChIKeyAIWSQAODUNEBGP-UHFFFAOYSA-N
MW370.47 g/mol
LogP3.55
Rot. Bonds9

About 1-(3-methoxyphenyl)-2-[[2-(phenoxymethyl)-1,3-thiazol-4-yl]methylamino]ethanol

1-(3-methoxyphenyl)-2-[[2-(phenoxymethyl)-1,3-thiazol-4-yl]methylamino]ethanol (PubChem CID 154748611) has the molecular formula C20H22N2O3S and a molecular weight of 370.47 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)-2-[[2-(phenoxymethyl)-1,3-thiazol-4-yl]methylamino]ethanol.

Molecular Properties

Compound Name1-(3-methoxyphenyl)-2-[[2-(phenoxymethyl)-1,3-thiazol-4-yl]methylamino]ethanol
PubChem CID154748611
Molecular FormulaC20H22N2O3S
Molecular Weight370.47 g/mol
Exact Mass370.14
IUPAC Name1-(3-methoxyphenyl)-2-[[2-(phenoxymethyl)-1,3-thiazol-4-yl]methylamino]ethanol
SMILESCOc1cccc(C(O)CNCc2csc(COc3ccccc3)n2)c1
InChIInChI=1S/C20H22N2O3S/c1-24-18-9-5-6-15(10-18)19(23)12-21-11-16-14-26-20(22-16)13-25-17-7-3-2-4-8-17/h2-10,14,19,21,23H,11-13H2,1H3
InChIKeyAIWSQAODUNEBGP-UHFFFAOYSA-N
XLogP3.55
TPSA63.61 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.47
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-(3-methoxyphenyl)-2-(pyridin-2-ylmethylamino)ethanol
CID 78954160
3-[[2-(phenoxymethyl)-1,3-thiazol-4-yl]methylamino]propan-1-ol
CID 111122709
1-(3-methoxyphenyl)-2-[(4-methoxy-3-phenylmethoxyphenyl)methylamino]ethanol
CID 119128834
N-[[2-[(3-propan-2-ylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]propan-2-amine
CID 82193815
2-[(2-methyl-1,3-thiazol-4-yl)methylamino]-1-phenylethanol
CID 43392287
N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-1-[2-[(4-methoxyphenoxy)methyl]-1,3-thiazol-4-yl]methanamine
CID 86947343
1-(3-methoxyphenyl)-2-(propylamino)ethanol
CID 15006474
1-(3-methoxyphenyl)-2-(2-propan-2-yloxyethylamino)ethanol
CID 113450094
(1R)-2-[(2-methoxyphenyl)methylamino]-1-(3-phenylmethoxyphenyl)ethanol
CID 46893592
2-(aminomethyl)-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-1,3-thiazole-4-carboxamide
CID 119765496
2-methyl-N-[[2-[(2-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]propan-1-amine
CID 42837275
(2R)-3-methyl-2-[[2-(phenoxymethyl)-1,3-thiazol-4-yl]methylamino]butanoic acid
CID 120511103

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenyl)-2-[[2-(phenoxymethyl)-1,3-thiazol-4-yl]methylamino]ethanol?
The IUPAC name of 1-(3-methoxyphenyl)-2-[[2-(phenoxymethyl)-1,3-thiazol-4-yl]methylamino]ethanol (CID 154748611) is 1-(3-methoxyphenyl)-2-[[2-(phenoxymethyl)-1,3-thiazol-4-yl]methylamino]ethanol.
What is the SMILES notation for 1-(3-methoxyphenyl)-2-[[2-(phenoxymethyl)-1,3-thiazol-4-yl]methylamino]ethanol?
The canonical SMILES for 1-(3-methoxyphenyl)-2-[[2-(phenoxymethyl)-1,3-thiazol-4-yl]methylamino]ethanol is COc1cccc(C(O)CNCc2csc(COc3ccccc3)n2)c1.
What is the InChIKey of 1-(3-methoxyphenyl)-2-[[2-(phenoxymethyl)-1,3-thiazol-4-yl]methylamino]ethanol?
The InChIKey is AIWSQAODUNEBGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O3S/c1-24-18-9-5-6-15(10-18)19(23)12-21-11-16-14-26-20(22-16)13-25-17-7-3-2-4-8-17/h2-10,14,19,21,23H,11-13H2,1H3.
What are the key properties of 1-(3-methoxyphenyl)-2-[[2-(phenoxymethyl)-1,3-thiazol-4-yl]methylamino]ethanol?
1-(3-methoxyphenyl)-2-[[2-(phenoxymethyl)-1,3-thiazol-4-yl]methylamino]ethanol has a molecular weight of 370.47 g/mol, XLogP of 3.55, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyphenyl)-2-[[2-(phenoxymethyl)-1,3-thiazol-4-yl]methylamino]ethanol is sourced from PubChem (CID 154748611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).