1-(3-methoxyphenyl)-2-[1-(1,3-thiazol-2-yl)propylamino]ethanol

C15H20N2O2S — CID 81134144

IUPAC1-(3-methoxyphenyl)-2-[1-(1,3-thiazol-2-yl)propylamino]ethanol
SMILESCCC(NCC(O)c1cccc(OC)c1)c1nccs1
InChIInChI=1S/C15H20N2O2S/c1-3-13(15-16-7-8-20-15)17-10-14(18)11-5-4-6-12(9-11)19-2/h4-9,13-14,17-18H,3,10H2,1-2H3
InChIKeyQRTLWOKQKMFUOW-UHFFFAOYSA-N
MW292.40 g/mol
LogP2.93
Rot. Bonds7

About 1-(3-methoxyphenyl)-2-[1-(1,3-thiazol-2-yl)propylamino]ethanol

1-(3-methoxyphenyl)-2-[1-(1,3-thiazol-2-yl)propylamino]ethanol (PubChem CID 81134144) has the molecular formula C15H20N2O2S and a molecular weight of 292.40 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)-2-[1-(1,3-thiazol-2-yl)propylamino]ethanol.

Molecular Properties

Compound Name1-(3-methoxyphenyl)-2-[1-(1,3-thiazol-2-yl)propylamino]ethanol
PubChem CID81134144
Molecular FormulaC15H20N2O2S
Molecular Weight292.40 g/mol
Exact Mass292.12
IUPAC Name1-(3-methoxyphenyl)-2-[1-(1,3-thiazol-2-yl)propylamino]ethanol
SMILESCCC(NCC(O)c1cccc(OC)c1)c1nccs1
InChIInChI=1S/C15H20N2O2S/c1-3-13(15-16-7-8-20-15)17-10-14(18)11-5-4-6-12(9-11)19-2/h4-9,13-14,17-18H,3,10H2,1-2H3
InChIKeyQRTLWOKQKMFUOW-UHFFFAOYSA-N
XLogP2.93
TPSA54.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-methoxyphenyl)-2-(1,3-thiazol-2-yl)ethanol
CID 79823536
N-[(3-methoxyphenyl)-(1,3-thiazol-2-yl)methyl]propan-1-amine
CID 61332776
2-[(2-hydroxy-1-phenylethyl)amino]-1-(3-methoxyphenyl)ethanol
CID 81134314
N-ethyl-1-(3-methoxyphenyl)-2-(1,3-thiazol-2-yl)ethanamine
CID 79823576
2-methoxy-N-[(3-methoxyphenyl)-(1,3-thiazol-2-yl)methyl]ethanamine
CID 62544424
1-(3-methoxyphenyl)-2-(propylamino)ethanol
CID 15006474
1-(3-methoxyphenyl)-2-(pentan-2-ylamino)ethanol
CID 78967072
2-[1-(4-ethoxyphenyl)ethylamino]-1-(3-methoxyphenyl)ethanol
CID 111382254
2-[1-(3,4-dimethoxyphenyl)propylamino]-1-phenylethanol
CID 57000376
1-phenyl-N-[2-(1,3-thiazol-2-yl)propyl]propan-1-amine
CID 113429643
1-(3-methoxyphenyl)-2-(2-propan-2-yloxyethylamino)ethanol
CID 113450094
1-(3-methoxyphenyl)-2-[[(1R)-1-(4-methylphenyl)ethyl]amino]ethanol
CID 81347397

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenyl)-2-[1-(1,3-thiazol-2-yl)propylamino]ethanol?
The IUPAC name of 1-(3-methoxyphenyl)-2-[1-(1,3-thiazol-2-yl)propylamino]ethanol (CID 81134144) is 1-(3-methoxyphenyl)-2-[1-(1,3-thiazol-2-yl)propylamino]ethanol.
What is the SMILES notation for 1-(3-methoxyphenyl)-2-[1-(1,3-thiazol-2-yl)propylamino]ethanol?
The canonical SMILES for 1-(3-methoxyphenyl)-2-[1-(1,3-thiazol-2-yl)propylamino]ethanol is CCC(NCC(O)c1cccc(OC)c1)c1nccs1.
What is the InChIKey of 1-(3-methoxyphenyl)-2-[1-(1,3-thiazol-2-yl)propylamino]ethanol?
The InChIKey is QRTLWOKQKMFUOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2S/c1-3-13(15-16-7-8-20-15)17-10-14(18)11-5-4-6-12(9-11)19-2/h4-9,13-14,17-18H,3,10H2,1-2H3.
What are the key properties of 1-(3-methoxyphenyl)-2-[1-(1,3-thiazol-2-yl)propylamino]ethanol?
1-(3-methoxyphenyl)-2-[1-(1,3-thiazol-2-yl)propylamino]ethanol has a molecular weight of 292.40 g/mol, XLogP of 2.93, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyphenyl)-2-[1-(1,3-thiazol-2-yl)propylamino]ethanol is sourced from PubChem (CID 81134144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).