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

C17H21ClN2O4S — CID 67936228

IUPACmethyl 2-[4-[1-[[2-(2-chloro-1,3-thiazol-4-yl)-2-hydroxyethyl]amino]propan-2-yl]phenoxy]acetate
SMILESCOC(=O)COc1ccc(C(C)CNCC(O)c2csc(Cl)n2)cc1
InChIInChI=1S/C17H21ClN2O4S/c1-11(7-19-8-15(21)14-10-25-17(18)20-14)12-3-5-13(6-4-12)24-9-16(22)23-2/h3-6,10-11,15,19,21H,7-9H2,1-2H3
InChIKeyFLIVJUIPQTUFOY-UHFFFAOYSA-N
MW384.89 g/mol
LogP2.78
Rot. Bonds9

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

methyl 2-[4-[1-[[2-(2-chloro-1,3-thiazol-4-yl)-2-hydroxyethyl]amino]propan-2-yl]phenoxy]acetate (PubChem CID 67936228) has the molecular formula C17H21ClN2O4S and a molecular weight of 384.89 g/mol. Its IUPAC name is methyl 2-[4-[1-[[2-(2-chloro-1,3-thiazol-4-yl)-2-hydroxyethyl]amino]propan-2-yl]phenoxy]acetate.

Molecular Properties

Compound Namemethyl 2-[4-[1-[[2-(2-chloro-1,3-thiazol-4-yl)-2-hydroxyethyl]amino]propan-2-yl]phenoxy]acetate
PubChem CID67936228
Molecular FormulaC17H21ClN2O4S
Molecular Weight384.89 g/mol
Exact Mass384.09
IUPAC Namemethyl 2-[4-[1-[[2-(2-chloro-1,3-thiazol-4-yl)-2-hydroxyethyl]amino]propan-2-yl]phenoxy]acetate
SMILESCOC(=O)COc1ccc(C(C)CNCC(O)c2csc(Cl)n2)cc1
InChIInChI=1S/C17H21ClN2O4S/c1-11(7-19-8-15(21)14-10-25-17(18)20-14)12-3-5-13(6-4-12)24-9-16(22)23-2/h3-6,10-11,15,19,21H,7-9H2,1-2H3
InChIKeyFLIVJUIPQTUFOY-UHFFFAOYSA-N
XLogP2.78
TPSA80.68 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.89
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

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Related Compounds

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-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-hydroxyethyl)phenoxy]acetate
CID 43503745
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
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
methyl 2-[4-[(3-chloro-2-methylpropanoyl)amino]phenoxy]acetate
CID 62729425
methyl 2-[4-[2-[[2-methoxy-2-[2-(trifluoromethyl)-1,3-thiazol-4-yl]ethyl]amino]propyl]phenoxy]acetate
CID 19974122
methyl 2-[(6-chloro-3-pyridinyl)oxy]acetate
CID 86099194

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-[1-[[2-(2-chloro-1,3-thiazol-4-yl)-2-hydroxyethyl]amino]propan-2-yl]phenoxy]acetate?
The IUPAC name of methyl 2-[4-[1-[[2-(2-chloro-1,3-thiazol-4-yl)-2-hydroxyethyl]amino]propan-2-yl]phenoxy]acetate (CID 67936228) is methyl 2-[4-[1-[[2-(2-chloro-1,3-thiazol-4-yl)-2-hydroxyethyl]amino]propan-2-yl]phenoxy]acetate.
What is the SMILES notation for methyl 2-[4-[1-[[2-(2-chloro-1,3-thiazol-4-yl)-2-hydroxyethyl]amino]propan-2-yl]phenoxy]acetate?
The canonical SMILES for methyl 2-[4-[1-[[2-(2-chloro-1,3-thiazol-4-yl)-2-hydroxyethyl]amino]propan-2-yl]phenoxy]acetate is COC(=O)COc1ccc(C(C)CNCC(O)c2csc(Cl)n2)cc1.
What is the InChIKey of methyl 2-[4-[1-[[2-(2-chloro-1,3-thiazol-4-yl)-2-hydroxyethyl]amino]propan-2-yl]phenoxy]acetate?
The InChIKey is FLIVJUIPQTUFOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN2O4S/c1-11(7-19-8-15(21)14-10-25-17(18)20-14)12-3-5-13(6-4-12)24-9-16(22)23-2/h3-6,10-11,15,19,21H,7-9H2,1-2H3.
What are the key properties of methyl 2-[4-[1-[[2-(2-chloro-1,3-thiazol-4-yl)-2-hydroxyethyl]amino]propan-2-yl]phenoxy]acetate?
methyl 2-[4-[1-[[2-(2-chloro-1,3-thiazol-4-yl)-2-hydroxyethyl]amino]propan-2-yl]phenoxy]acetate has a molecular weight of 384.89 g/mol, XLogP of 2.78, 9 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-(2-chloro-1,3-thiazol-4-yl)-2-hydroxyethyl]amino]propan-2-yl]phenoxy]acetate is sourced from PubChem (CID 67936228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).