2-[2-methoxy-4-[1-(1,3-thiazol-2-ylmethylamino)ethyl]phenoxy]ethanol

C15H20N2O3S — CID 110928652

IUPAC2-[2-methoxy-4-[1-(1,3-thiazol-2-ylmethylamino)ethyl]phenoxy]ethanol
SMILESCOc1cc(C(C)NCc2nccs2)ccc1OCCO
InChIInChI=1S/C15H20N2O3S/c1-11(17-10-15-16-5-8-21-15)12-3-4-13(20-7-6-18)14(9-12)19-2/h3-5,8-9,11,17-18H,6-7,10H2,1-2H3
InChIKeyFBAQMYNORQXPDJ-UHFFFAOYSA-N
MW308.40 g/mol
LogP2.37
Rot. Bonds8

About 2-[2-methoxy-4-[1-(1,3-thiazol-2-ylmethylamino)ethyl]phenoxy]ethanol

2-[2-methoxy-4-[1-(1,3-thiazol-2-ylmethylamino)ethyl]phenoxy]ethanol (PubChem CID 110928652) has the molecular formula C15H20N2O3S and a molecular weight of 308.40 g/mol. Its IUPAC name is 2-[2-methoxy-4-[1-(1,3-thiazol-2-ylmethylamino)ethyl]phenoxy]ethanol.

Molecular Properties

Compound Name2-[2-methoxy-4-[1-(1,3-thiazol-2-ylmethylamino)ethyl]phenoxy]ethanol
PubChem CID110928652
Molecular FormulaC15H20N2O3S
Molecular Weight308.40 g/mol
Exact Mass308.12
IUPAC Name2-[2-methoxy-4-[1-(1,3-thiazol-2-ylmethylamino)ethyl]phenoxy]ethanol
SMILESCOc1cc(C(C)NCc2nccs2)ccc1OCCO
InChIInChI=1S/C15H20N2O3S/c1-11(17-10-15-16-5-8-21-15)12-3-4-13(20-7-6-18)14(9-12)19-2/h3-5,8-9,11,17-18H,6-7,10H2,1-2H3
InChIKeyFBAQMYNORQXPDJ-UHFFFAOYSA-N
XLogP2.37
TPSA63.61 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.40
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[2-methoxy-4-[1-[(3-methylthiophen-2-yl)methylamino]ethyl]phenoxy]ethanol
CID 110908335
2-[2-methoxy-4-[1-(pyridin-4-ylmethylamino)ethyl]phenoxy]ethanol
CID 110908334
2-[2-methoxy-4-[(1S)-1-[(5-methyl-1H-pyrazol-4-yl)methylamino]ethyl]phenoxy]ethanol
CID 95331813
3-[[[(1S)-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]ethyl]amino]methyl]phenol
CID 95336432
2-[2-methoxy-4-[1-[(3-methylimidazol-4-yl)methylamino]ethyl]phenoxy]ethanol
CID 119110227
5-[1-(1,3-thiazol-2-ylmethylamino)ethyl]benzene-1,3-diol
CID 107706299
2-[[(1S)-1-(3,4-dimethoxyphenyl)ethyl]amino]ethanol
CID 7242151
1-(4-propan-2-ylphenyl)-N-(1,3-thiazol-2-ylmethyl)ethanamine
CID 61285618
1-(5-fluoro-2-methoxyphenyl)-N-(1,3-thiazol-2-ylmethyl)ethanamine
CID 63001482
1-ethyl-3-[(1R)-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]ethyl]urea
CID 94192184
1-(4-fluorophenyl)-N-(1,3-thiazol-2-ylmethyl)ethanamine
CID 61284818
(1S)-1-(4-chlorophenyl)-N-(1,3-thiazol-2-ylmethyl)ethanamine
CID 81353359

Frequently Asked Questions

What is the IUPAC name of 2-[2-methoxy-4-[1-(1,3-thiazol-2-ylmethylamino)ethyl]phenoxy]ethanol?
The IUPAC name of 2-[2-methoxy-4-[1-(1,3-thiazol-2-ylmethylamino)ethyl]phenoxy]ethanol (CID 110928652) is 2-[2-methoxy-4-[1-(1,3-thiazol-2-ylmethylamino)ethyl]phenoxy]ethanol.
What is the SMILES notation for 2-[2-methoxy-4-[1-(1,3-thiazol-2-ylmethylamino)ethyl]phenoxy]ethanol?
The canonical SMILES for 2-[2-methoxy-4-[1-(1,3-thiazol-2-ylmethylamino)ethyl]phenoxy]ethanol is COc1cc(C(C)NCc2nccs2)ccc1OCCO.
What is the InChIKey of 2-[2-methoxy-4-[1-(1,3-thiazol-2-ylmethylamino)ethyl]phenoxy]ethanol?
The InChIKey is FBAQMYNORQXPDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3S/c1-11(17-10-15-16-5-8-21-15)12-3-4-13(20-7-6-18)14(9-12)19-2/h3-5,8-9,11,17-18H,6-7,10H2,1-2H3.
What are the key properties of 2-[2-methoxy-4-[1-(1,3-thiazol-2-ylmethylamino)ethyl]phenoxy]ethanol?
2-[2-methoxy-4-[1-(1,3-thiazol-2-ylmethylamino)ethyl]phenoxy]ethanol has a molecular weight of 308.40 g/mol, XLogP of 2.37, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methoxy-4-[1-(1,3-thiazol-2-ylmethylamino)ethyl]phenoxy]ethanol is sourced from PubChem (CID 110928652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).