1-(3,5-dimethoxyphenyl)-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethanol

C19H20N2O3S — CID 133372946

IUPAC1-(3,5-dimethoxyphenyl)-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethanol
SMILESCOc1cc(OC)cc(C(O)CNc2nc(-c3ccccc3)cs2)c1
InChIInChI=1S/C19H20N2O3S/c1-23-15-8-14(9-16(10-15)24-2)18(22)11-20-19-21-17(12-25-19)13-6-4-3-5-7-13/h3-10,12,18,22H,11H2,1-2H3,(H,20,21)
InChIKeyRGADVKRYTYLUOH-UHFFFAOYSA-N
MW356.45 g/mol
LogP3.97
Rot. Bonds7

About 1-(3,5-dimethoxyphenyl)-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethanol

1-(3,5-dimethoxyphenyl)-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethanol (PubChem CID 133372946) has the molecular formula C19H20N2O3S and a molecular weight of 356.45 g/mol. Its IUPAC name is 1-(3,5-dimethoxyphenyl)-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethanol.

Molecular Properties

Compound Name1-(3,5-dimethoxyphenyl)-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethanol
PubChem CID133372946
Molecular FormulaC19H20N2O3S
Molecular Weight356.45 g/mol
Exact Mass356.12
IUPAC Name1-(3,5-dimethoxyphenyl)-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethanol
SMILESCOc1cc(OC)cc(C(O)CNc2nc(-c3ccccc3)cs2)c1
InChIInChI=1S/C19H20N2O3S/c1-23-15-8-14(9-16(10-15)24-2)18(22)11-20-19-21-17(12-25-19)13-6-4-3-5-7-13/h3-10,12,18,22H,11H2,1-2H3,(H,20,21)
InChIKeyRGADVKRYTYLUOH-UHFFFAOYSA-N
XLogP3.97
TPSA63.61 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.45
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(3,5-dimethoxyphenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 168576843
(E)-3-(3,5-dimethoxyphenyl)-N-(4-phenyl-1,3-thiazol-2-yl)prop-2-enamide
CID 25208412
3,5-dimethoxy-N-[(2S)-3-methyl-1-oxo-1-[(4-phenyl-1,3-thiazol-2-yl)amino]butan-2-yl]benzamide
CID 2479098
3-bromo-2,5-dimethoxy-N-(4-phenyl-1,3-thiazol-2-yl)benzamide
CID 24625358
2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethanol
CID 15573942
2-(6-methoxynaphthalen-2-yl)-N-(4-phenyl-1,3-thiazol-2-yl)propanamide
CID 176908756
4-(4-methoxyphenyl)-N-propyl-1,3-thiazol-2-amine
CID 8962689
N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]acetamide
CID 3971135
[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]hydrazine
CID 5211248
[(2S)-1-oxo-1-[(4-phenyl-1,3-thiazol-2-yl)amino]propan-2-yl] 4-methoxybenzoate
CID 2510397
N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]-4-phenyl-1,3-thiazol-2-amine
CID 133371007
N-(2-methylpropyl)-4-(4-propan-2-ylphenyl)-1,3-thiazol-2-amine
CID 60642186

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethoxyphenyl)-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethanol?
The IUPAC name of 1-(3,5-dimethoxyphenyl)-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethanol (CID 133372946) is 1-(3,5-dimethoxyphenyl)-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethanol.
What is the SMILES notation for 1-(3,5-dimethoxyphenyl)-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethanol?
The canonical SMILES for 1-(3,5-dimethoxyphenyl)-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethanol is COc1cc(OC)cc(C(O)CNc2nc(-c3ccccc3)cs2)c1.
What is the InChIKey of 1-(3,5-dimethoxyphenyl)-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethanol?
The InChIKey is RGADVKRYTYLUOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O3S/c1-23-15-8-14(9-16(10-15)24-2)18(22)11-20-19-21-17(12-25-19)13-6-4-3-5-7-13/h3-10,12,18,22H,11H2,1-2H3,(H,20,21).
What are the key properties of 1-(3,5-dimethoxyphenyl)-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethanol?
1-(3,5-dimethoxyphenyl)-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethanol has a molecular weight of 356.45 g/mol, XLogP of 3.97, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethoxyphenyl)-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethanol is sourced from PubChem (CID 133372946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).