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

C17H22N2O4S — CID 19974207

IUPACmethyl 2-[4-[2-[[2-hydroxy-2-(1,3-thiazol-4-yl)ethyl]amino]propyl]phenoxy]acetate
SMILESCOC(=O)COc1ccc(CC(C)NCC(O)c2cscn2)cc1
InChIInChI=1S/C17H22N2O4S/c1-12(18-8-16(20)15-10-24-11-19-15)7-13-3-5-14(6-4-13)23-9-17(21)22-2/h3-6,10-12,16,18,20H,7-9H2,1-2H3
InChIKeyDRVBTWHJPGPTAK-UHFFFAOYSA-N
MW350.44 g/mol
LogP1.95
Rot. Bonds9

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

methyl 2-[4-[2-[[2-hydroxy-2-(1,3-thiazol-4-yl)ethyl]amino]propyl]phenoxy]acetate (PubChem CID 19974207) has the molecular formula C17H22N2O4S and a molecular weight of 350.44 g/mol. Its IUPAC name is methyl 2-[4-[2-[[2-hydroxy-2-(1,3-thiazol-4-yl)ethyl]amino]propyl]phenoxy]acetate.

Molecular Properties

Compound Namemethyl 2-[4-[2-[[2-hydroxy-2-(1,3-thiazol-4-yl)ethyl]amino]propyl]phenoxy]acetate
PubChem CID19974207
Molecular FormulaC17H22N2O4S
Molecular Weight350.44 g/mol
Exact Mass350.13
IUPAC Namemethyl 2-[4-[2-[[2-hydroxy-2-(1,3-thiazol-4-yl)ethyl]amino]propyl]phenoxy]acetate
SMILESCOC(=O)COc1ccc(CC(C)NCC(O)c2cscn2)cc1
InChIInChI=1S/C17H22N2O4S/c1-12(18-8-16(20)15-10-24-11-19-15)7-13-3-5-14(6-4-13)23-9-17(21)22-2/h3-6,10-12,16,18,20H,7-9H2,1-2H3
InChIKeyDRVBTWHJPGPTAK-UHFFFAOYSA-N
XLogP1.95
TPSA80.68 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.44
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

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Related Compounds

methyl 2-[4-[(2R)-2-[[(2R)-2-hydroxy-2-phenylethyl]amino]propyl]phenoxy]acetate
CID 154281922
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-(2,5-dimethyl-1,3-oxazol-4-yl)-2-hydroxyethyl]amino]propyl]phenoxy]acetate;dihydrochloride
CID 14076236
methyl 2-[4-[2-[[(2S)-2-hydroxy-3-phenoxypropyl]amino]propyl]phenoxy]acetate
CID 67905669
methyl 2-[4-[2-[[2-(3-chlorophenyl)-2-hydroxyethyl]amino]propyl]phenoxy]acetate;hydrobromide
CID 6918146
methyl 2-[4-[2-[[2-hydroxy-3-(4-phenylmethoxyphenoxy)propyl]amino]propyl]phenoxy]acetate
CID 19690919
methyl 2-[4-[2-[[2-methoxy-2-[2-(trifluoromethyl)-1,3-thiazol-4-yl]ethyl]amino]propyl]phenoxy]acetate
CID 19974122
methyl 2-[4-[2-[[3-[3,4-bis(phenylmethoxy)phenoxy]-2-hydroxypropyl]amino]propyl]phenoxy]acetate
CID 86752189
methyl 2-[4-[2-[[2-hydroxy-2-(2-methyl-1,3-thiazol-4-yl)ethyl]amino]ethyl]phenoxy]acetate
CID 19974177
2-[1-[4-(2-hydroxyethoxy)phenyl]propan-2-ylamino]-1-[2-(trifluoromethyl)-1,3-thiazol-4-yl]ethanol
CID 19974156
methyl 4-[2-[[2-(2-acetamido-1,3-thiazol-4-yl)-2-hydroxyethyl]amino]propyl]benzoate
CID 14076224
ethyl 2-[4-[2-(ethylamino)propyl]phenoxy]acetate
CID 115494998

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-[2-[[2-hydroxy-2-(1,3-thiazol-4-yl)ethyl]amino]propyl]phenoxy]acetate?
The IUPAC name of methyl 2-[4-[2-[[2-hydroxy-2-(1,3-thiazol-4-yl)ethyl]amino]propyl]phenoxy]acetate (CID 19974207) is methyl 2-[4-[2-[[2-hydroxy-2-(1,3-thiazol-4-yl)ethyl]amino]propyl]phenoxy]acetate.
What is the SMILES notation for methyl 2-[4-[2-[[2-hydroxy-2-(1,3-thiazol-4-yl)ethyl]amino]propyl]phenoxy]acetate?
The canonical SMILES for methyl 2-[4-[2-[[2-hydroxy-2-(1,3-thiazol-4-yl)ethyl]amino]propyl]phenoxy]acetate is COC(=O)COc1ccc(CC(C)NCC(O)c2cscn2)cc1.
What is the InChIKey of methyl 2-[4-[2-[[2-hydroxy-2-(1,3-thiazol-4-yl)ethyl]amino]propyl]phenoxy]acetate?
The InChIKey is DRVBTWHJPGPTAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O4S/c1-12(18-8-16(20)15-10-24-11-19-15)7-13-3-5-14(6-4-13)23-9-17(21)22-2/h3-6,10-12,16,18,20H,7-9H2,1-2H3.
What are the key properties of methyl 2-[4-[2-[[2-hydroxy-2-(1,3-thiazol-4-yl)ethyl]amino]propyl]phenoxy]acetate?
methyl 2-[4-[2-[[2-hydroxy-2-(1,3-thiazol-4-yl)ethyl]amino]propyl]phenoxy]acetate has a molecular weight of 350.44 g/mol, XLogP of 1.95, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-[2-[[2-hydroxy-2-(1,3-thiazol-4-yl)ethyl]amino]propyl]phenoxy]acetate is sourced from PubChem (CID 19974207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).