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

C20H28N2O4S — CID 67935943

IUPACmethyl 2-[4-[1-[[2-hydroxy-2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]amino]propan-2-yl]phenoxy]acetate
SMILESCOC(=O)COc1ccc(C(C)CNCC(O)c2csc(C(C)C)n2)cc1
InChIInChI=1S/C20H28N2O4S/c1-13(2)20-22-17(12-27-20)18(23)10-21-9-14(3)15-5-7-16(8-6-15)26-11-19(24)25-4/h5-8,12-14,18,21,23H,9-11H2,1-4H3
InChIKeyIJNAPDTXQHFJJP-UHFFFAOYSA-N
MW392.52 g/mol
LogP3.24
Rot. Bonds10

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

methyl 2-[4-[1-[[2-hydroxy-2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]amino]propan-2-yl]phenoxy]acetate (PubChem CID 67935943) has the molecular formula C20H28N2O4S and a molecular weight of 392.52 g/mol. Its IUPAC name is methyl 2-[4-[1-[[2-hydroxy-2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]amino]propan-2-yl]phenoxy]acetate.

Molecular Properties

Compound Namemethyl 2-[4-[1-[[2-hydroxy-2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]amino]propan-2-yl]phenoxy]acetate
PubChem CID67935943
Molecular FormulaC20H28N2O4S
Molecular Weight392.52 g/mol
Exact Mass392.18
IUPAC Namemethyl 2-[4-[1-[[2-hydroxy-2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]amino]propan-2-yl]phenoxy]acetate
SMILESCOC(=O)COc1ccc(C(C)CNCC(O)c2csc(C(C)C)n2)cc1
InChIInChI=1S/C20H28N2O4S/c1-13(2)20-22-17(12-27-20)18(23)10-21-9-14(3)15-5-7-16(8-6-15)26-11-19(24)25-4/h5-8,12-14,18,21,23H,9-11H2,1-4H3
InChIKeyIJNAPDTXQHFJJP-UHFFFAOYSA-N
XLogP3.24
TPSA80.68 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.52
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

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Related Compounds

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-[[2-hydroxy-2-(2-methyl-1,3-thiazol-4-yl)ethyl]-methylamino]propan-2-yl]phenoxy]acetate
CID 67936112
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-[3-(trifluoromethyl)phenyl]ethyl]amino]propan-2-yl]phenoxy]acetate
CID 70555770
methyl 2-[4-(1-acetamidopropan-2-yl)phenoxy]acetate
CID 14579440
methyl 2-[4-(1-hydroxyethyl)phenoxy]acetate
CID 43503745
2-[4-[1-[[2-hydroxy-2-[4-methyl-2-(trifluoromethyl)-1,3-thiazol-5-yl]ethyl]amino]propan-2-yl]phenoxy]-N-methylacetamide
CID 67935980
methyl 2-[4-[2-[[2-hydroxy-2-(2-piperidin-1-yl-1,3-thiazol-4-yl)ethyl]amino]propyl]phenoxy]acetate
CID 19974348
methyl 2-[4-[2-[[2-hydroxy-2-(1,3-thiazol-4-yl)ethyl]amino]propyl]phenoxy]acetate
CID 19974207
1-(4-propan-2-yloxyphenyl)-2-[(2-propan-2-yl-1,3-thiazol-4-yl)methylamino]ethanol
CID 111422217
(1R)-1-[4-[(2-propan-2-yl-1,3-thiazol-4-yl)methoxy]phenyl]ethanol
CID 63364376
(2S)-1-(4-fluorophenoxy)-3-[[(1R)-1-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]amino]propan-2-ol
CID 97307213

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-[1-[[2-hydroxy-2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]amino]propan-2-yl]phenoxy]acetate?
The IUPAC name of 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) is methyl 2-[4-[1-[[2-hydroxy-2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]amino]propan-2-yl]phenoxy]acetate.
What is the SMILES notation for methyl 2-[4-[1-[[2-hydroxy-2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]amino]propan-2-yl]phenoxy]acetate?
The canonical SMILES for methyl 2-[4-[1-[[2-hydroxy-2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]amino]propan-2-yl]phenoxy]acetate is COC(=O)COc1ccc(C(C)CNCC(O)c2csc(C(C)C)n2)cc1.
What is the InChIKey of methyl 2-[4-[1-[[2-hydroxy-2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]amino]propan-2-yl]phenoxy]acetate?
The InChIKey is IJNAPDTXQHFJJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O4S/c1-13(2)20-22-17(12-27-20)18(23)10-21-9-14(3)15-5-7-16(8-6-15)26-11-19(24)25-4/h5-8,12-14,18,21,23H,9-11H2,1-4H3.
What are the key properties of methyl 2-[4-[1-[[2-hydroxy-2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]amino]propan-2-yl]phenoxy]acetate?
methyl 2-[4-[1-[[2-hydroxy-2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]amino]propan-2-yl]phenoxy]acetate has a molecular weight of 392.52 g/mol, XLogP of 3.24, 10 rotatable bonds, 2 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-propan-2-yl-1,3-thiazol-4-yl)ethyl]amino]propan-2-yl]phenoxy]acetate is sourced from PubChem (CID 67935943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).