1-[2-[[2-imidazol-1-ylethyl(methyl)amino]methyl]phenoxy]-3-thiomorpholin-4-ylpropan-2-ol

C20H30N4O2S — CID 45225751

IUPAC1-[2-[[2-imidazol-1-ylethyl(methyl)amino]methyl]phenoxy]-3-thiomorpholin-4-ylpropan-2-ol
SMILESCN(CCn1ccnc1)Cc1ccccc1OCC(O)CN1CCSCC1
InChIInChI=1S/C20H30N4O2S/c1-22(8-9-24-7-6-21-17-24)14-18-4-2-3-5-20(18)26-16-19(25)15-23-10-12-27-13-11-23/h2-7,17,19,25H,8-16H2,1H3
InChIKeyWVPOQGGZRFHELU-UHFFFAOYSA-N
MW390.55 g/mol
LogP1.80
Rot. Bonds10

About 1-[2-[[2-imidazol-1-ylethyl(methyl)amino]methyl]phenoxy]-3-thiomorpholin-4-ylpropan-2-ol

1-[2-[[2-imidazol-1-ylethyl(methyl)amino]methyl]phenoxy]-3-thiomorpholin-4-ylpropan-2-ol (PubChem CID 45225751) has the molecular formula C20H30N4O2S and a molecular weight of 390.55 g/mol. Its IUPAC name is 1-[2-[[2-imidazol-1-ylethyl(methyl)amino]methyl]phenoxy]-3-thiomorpholin-4-ylpropan-2-ol.

Molecular Properties

Compound Name1-[2-[[2-imidazol-1-ylethyl(methyl)amino]methyl]phenoxy]-3-thiomorpholin-4-ylpropan-2-ol
PubChem CID45225751
Molecular FormulaC20H30N4O2S
Molecular Weight390.55 g/mol
Exact Mass390.21
IUPAC Name1-[2-[[2-imidazol-1-ylethyl(methyl)amino]methyl]phenoxy]-3-thiomorpholin-4-ylpropan-2-ol
SMILESCN(CCn1ccnc1)Cc1ccccc1OCC(O)CN1CCSCC1
InChIInChI=1S/C20H30N4O2S/c1-22(8-9-24-7-6-21-17-24)14-18-4-2-3-5-20(18)26-16-19(25)15-23-10-12-27-13-11-23/h2-7,17,19,25H,8-16H2,1H3
InChIKeyWVPOQGGZRFHELU-UHFFFAOYSA-N
XLogP1.80
TPSA53.76 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.55
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-[2-[[2-imidazol-1-ylethyl(methyl)amino]methyl]phenoxy]-3-thiomorpholin-4-ylpropan-2-ol with MolForge

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Related Compounds

(2S)-1-[2-[[methyl-[(5-methyl-1H-imidazol-2-yl)methyl]amino]methyl]phenoxy]-3-thiomorpholin-4-ylpropan-2-ol
CID 28634538
1-[2-[[ethyl(2-hydroxyethyl)amino]methyl]phenoxy]-3-thiomorpholin-4-ylpropan-2-ol
CID 45237035
1-[2-[(4-ethyl-1,4-diazepan-1-yl)methyl]phenoxy]-3-thiomorpholin-4-ylpropan-2-ol
CID 72900063
(2R)-1-[2-(piperidin-1-ylmethyl)phenoxy]-3-thiomorpholin-4-ylpropan-2-ol
CID 97280232
(2R)-1-[2-[[benzyl(methyl)amino]methyl]phenoxy]-3-piperidin-1-ylpropan-2-ol
CID 25377026
(2S)-1-[2-[[(2-methylphenyl)methylamino]methyl]phenoxy]-3-thiomorpholin-4-ylpropan-2-ol
CID 42211297
(2S)-1-[2-[[(1-methylpyrazol-4-yl)methylamino]methyl]phenoxy]-3-thiomorpholin-4-ylpropan-2-ol
CID 42342944
1-[[2-(2-hydroxy-3-thiomorpholin-4-ylpropoxy)phenyl]methyl]-1,4-diazepan-5-one
CID 45241027
(2S)-1-[2-[(2-pyrrolidin-1-ylethylamino)methyl]phenoxy]-3-thiomorpholin-4-ylpropan-2-ol
CID 51634139
(2S)-1-[2-[(2-phenylethylamino)methyl]phenoxy]-3-thiomorpholin-4-ylpropan-2-ol
CID 25459077
2-[[2-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropoxy]phenyl]methyl-methylamino]-N-methylacetamide
CID 97279494
1-(2-imidazol-1-ylethylamino)-3-(2-methoxyphenoxy)propan-2-ol
CID 61463199

Frequently Asked Questions

What is the IUPAC name of 1-[2-[[2-imidazol-1-ylethyl(methyl)amino]methyl]phenoxy]-3-thiomorpholin-4-ylpropan-2-ol?
The IUPAC name of 1-[2-[[2-imidazol-1-ylethyl(methyl)amino]methyl]phenoxy]-3-thiomorpholin-4-ylpropan-2-ol (CID 45225751) is 1-[2-[[2-imidazol-1-ylethyl(methyl)amino]methyl]phenoxy]-3-thiomorpholin-4-ylpropan-2-ol.
What is the SMILES notation for 1-[2-[[2-imidazol-1-ylethyl(methyl)amino]methyl]phenoxy]-3-thiomorpholin-4-ylpropan-2-ol?
The canonical SMILES for 1-[2-[[2-imidazol-1-ylethyl(methyl)amino]methyl]phenoxy]-3-thiomorpholin-4-ylpropan-2-ol is CN(CCn1ccnc1)Cc1ccccc1OCC(O)CN1CCSCC1.
What is the InChIKey of 1-[2-[[2-imidazol-1-ylethyl(methyl)amino]methyl]phenoxy]-3-thiomorpholin-4-ylpropan-2-ol?
The InChIKey is WVPOQGGZRFHELU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N4O2S/c1-22(8-9-24-7-6-21-17-24)14-18-4-2-3-5-20(18)26-16-19(25)15-23-10-12-27-13-11-23/h2-7,17,19,25H,8-16H2,1H3.
What are the key properties of 1-[2-[[2-imidazol-1-ylethyl(methyl)amino]methyl]phenoxy]-3-thiomorpholin-4-ylpropan-2-ol?
1-[2-[[2-imidazol-1-ylethyl(methyl)amino]methyl]phenoxy]-3-thiomorpholin-4-ylpropan-2-ol has a molecular weight of 390.55 g/mol, XLogP of 1.80, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[[2-imidazol-1-ylethyl(methyl)amino]methyl]phenoxy]-3-thiomorpholin-4-ylpropan-2-ol is sourced from PubChem (CID 45225751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).