methyl 2-[4-[1-[[2-hydroxy-2-(2-methyl-1,3-thiazol-4-yl)ethyl]-methylamino]propan-2-yl]phenoxy]acetate

C19H26N2O4S — CID 67936112

IUPACmethyl 2-[4-[1-[[2-hydroxy-2-(2-methyl-1,3-thiazol-4-yl)ethyl]-methylamino]propan-2-yl]phenoxy]acetate
SMILESCOC(=O)COc1ccc(C(C)CN(C)CC(O)c2csc(C)n2)cc1
InChIInChI=1S/C19H26N2O4S/c1-13(9-21(3)10-18(22)17-12-26-14(2)20-17)15-5-7-16(8-6-15)25-11-19(23)24-4/h5-8,12-13,18,22H,9-11H2,1-4H3
InChIKeyOAXRCVTVTIELBC-UHFFFAOYSA-N
MW378.49 g/mol
LogP2.77
Rot. Bonds9

About methyl 2-[4-[1-[[2-hydroxy-2-(2-methyl-1,3-thiazol-4-yl)ethyl]-methylamino]propan-2-yl]phenoxy]acetate

methyl 2-[4-[1-[[2-hydroxy-2-(2-methyl-1,3-thiazol-4-yl)ethyl]-methylamino]propan-2-yl]phenoxy]acetate (PubChem CID 67936112) has the molecular formula C19H26N2O4S and a molecular weight of 378.49 g/mol. Its IUPAC name is methyl 2-[4-[1-[[2-hydroxy-2-(2-methyl-1,3-thiazol-4-yl)ethyl]-methylamino]propan-2-yl]phenoxy]acetate.

Molecular Properties

Compound Namemethyl 2-[4-[1-[[2-hydroxy-2-(2-methyl-1,3-thiazol-4-yl)ethyl]-methylamino]propan-2-yl]phenoxy]acetate
PubChem CID67936112
Molecular FormulaC19H26N2O4S
Molecular Weight378.49 g/mol
Exact Mass378.16
IUPAC Namemethyl 2-[4-[1-[[2-hydroxy-2-(2-methyl-1,3-thiazol-4-yl)ethyl]-methylamino]propan-2-yl]phenoxy]acetate
SMILESCOC(=O)COc1ccc(C(C)CN(C)CC(O)c2csc(C)n2)cc1
InChIInChI=1S/C19H26N2O4S/c1-13(9-21(3)10-18(22)17-12-26-14(2)20-17)15-5-7-16(8-6-15)25-11-19(23)24-4/h5-8,12-13,18,22H,9-11H2,1-4H3
InChIKeyOAXRCVTVTIELBC-UHFFFAOYSA-N
XLogP2.77
TPSA71.89 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.49
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze methyl 2-[4-[1-[[2-hydroxy-2-(2-methyl-1,3-thiazol-4-yl)ethyl]-methylamino]propan-2-yl]phenoxy]acetate with MolForge

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Related Compounds

methyl 2-[4-[2-[[2-hydroxy-2-(2-methyl-1,3-thiazol-4-yl)ethyl]amino]ethyl]phenoxy]acetate
CID 19974177
methyl 2-[4-[1-[[2-hydroxy-2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]amino]propan-2-yl]phenoxy]acetate
CID 67935943
methyl 2-[4-[1-[[2-(2-chloro-1,3-thiazol-4-yl)-2-hydroxyethyl]amino]propan-2-yl]phenoxy]acetate
CID 67936228
methyl 2-[4-(1-hydroxyethyl)phenoxy]acetate
CID 43503745
methyl 2-[4-(1-acetamidopropan-2-yl)phenoxy]acetate
CID 14579440
2-(4-methoxyphenyl)-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]acetamide
CID 108737207
2-(4-butan-2-ylphenoxy)-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 17361593
1-(2-methyl-1,3-thiazol-4-yl)-2-(4-propan-2-ylphenyl)ethanol
CID 113472332
methyl 2-[4-[1-[benzyl-[2-(3-chlorophenyl)-2-hydroxyethyl]amino]propan-2-yl]phenoxy]acetate
CID 70482601
methyl 2-[4-[(2S)-5-[[(1R)-1-(3-methylphenyl)ethyl]amino]hexan-2-yl]phenoxy]acetate
CID 70916291
2-(4-chloro-3,5-dimethylphenoxy)-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]acetamide
CID 108760150
2-[4-[2-[[2-methoxy-2-(2-methyl-1,3-thiazol-4-yl)ethyl]amino]propyl]phenoxy]-N-methylacetamide
CID 19974161

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-[1-[[2-hydroxy-2-(2-methyl-1,3-thiazol-4-yl)ethyl]-methylamino]propan-2-yl]phenoxy]acetate?
The IUPAC name of methyl 2-[4-[1-[[2-hydroxy-2-(2-methyl-1,3-thiazol-4-yl)ethyl]-methylamino]propan-2-yl]phenoxy]acetate (CID 67936112) is methyl 2-[4-[1-[[2-hydroxy-2-(2-methyl-1,3-thiazol-4-yl)ethyl]-methylamino]propan-2-yl]phenoxy]acetate.
What is the SMILES notation for methyl 2-[4-[1-[[2-hydroxy-2-(2-methyl-1,3-thiazol-4-yl)ethyl]-methylamino]propan-2-yl]phenoxy]acetate?
The canonical SMILES for methyl 2-[4-[1-[[2-hydroxy-2-(2-methyl-1,3-thiazol-4-yl)ethyl]-methylamino]propan-2-yl]phenoxy]acetate is COC(=O)COc1ccc(C(C)CN(C)CC(O)c2csc(C)n2)cc1.
What is the InChIKey of methyl 2-[4-[1-[[2-hydroxy-2-(2-methyl-1,3-thiazol-4-yl)ethyl]-methylamino]propan-2-yl]phenoxy]acetate?
The InChIKey is OAXRCVTVTIELBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O4S/c1-13(9-21(3)10-18(22)17-12-26-14(2)20-17)15-5-7-16(8-6-15)25-11-19(23)24-4/h5-8,12-13,18,22H,9-11H2,1-4H3.
What are the key properties of methyl 2-[4-[1-[[2-hydroxy-2-(2-methyl-1,3-thiazol-4-yl)ethyl]-methylamino]propan-2-yl]phenoxy]acetate?
methyl 2-[4-[1-[[2-hydroxy-2-(2-methyl-1,3-thiazol-4-yl)ethyl]-methylamino]propan-2-yl]phenoxy]acetate has a molecular weight of 378.49 g/mol, XLogP of 2.77, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-[1-[[2-hydroxy-2-(2-methyl-1,3-thiazol-4-yl)ethyl]-methylamino]propan-2-yl]phenoxy]acetate is sourced from PubChem (CID 67936112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).