(2R)-1-(ethylamino)-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-2-ol

C11H20N4O3S — CID 76968009

IUPAC(2R)-1-(ethylamino)-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-2-ol
SMILESCCNC[C@@H](O)COc1nsnc1N1CCOCC1
InChIInChI=1S/C11H20N4O3S/c1-2-12-7-9(16)8-18-11-10(13-19-14-11)15-3-5-17-6-4-15/h9,12,16H,2-8H2,1H3/t9-/m1/s1
InChIKeyHXWIWDGXFHZHLV-SECBINFHSA-N
MW288.37 g/mol
LogP-0.28
Rot. Bonds7

About (2R)-1-(ethylamino)-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-2-ol

(2R)-1-(ethylamino)-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-2-ol (PubChem CID 76968009) has the molecular formula C11H20N4O3S and a molecular weight of 288.37 g/mol. Its IUPAC name is (2R)-1-(ethylamino)-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-2-ol.

Molecular Properties

Compound Name(2R)-1-(ethylamino)-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-2-ol
PubChem CID76968009
Molecular FormulaC11H20N4O3S
Molecular Weight288.37 g/mol
Exact Mass288.13
IUPAC Name(2R)-1-(ethylamino)-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-2-ol
SMILESCCNC[C@@H](O)COc1nsnc1N1CCOCC1
InChIInChI=1S/C11H20N4O3S/c1-2-12-7-9(16)8-18-11-10(13-19-14-11)15-3-5-17-6-4-15/h9,12,16H,2-8H2,1H3/t9-/m1/s1
InChIKeyHXWIWDGXFHZHLV-SECBINFHSA-N
XLogP-0.28
TPSA79.74 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 5-0.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze (2R)-1-(ethylamino)-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-2-ol with MolForge

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Related Compounds

1-amino-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-2-ol
CID 18984519
(2S)-1-chloro-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-2-ol
CID 11448848
(2S)-1-[[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]amino]-3-[[4-(2,2,6,6-tetradeuteriomorpholin-4-yl)-1,2,5-thiadiazol-3-yl]oxy]propan-2-ol
CID 52917514
(2R)-2-deuterio-1-[[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]amino]-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-2-ol
CID 52917136
(2S)-1-(tert-butylamino)-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-2-ol;2-hydroxypropane-1,2,3-tricarboxylic acid
CID 42613761
(2S)-1-(tert-butylamino)-3-[[4-(2,2,3,3,5,5,6,6-octadeuteriomorpholin-4-yl)-1,2,5-thiadiazol-3-yl]oxy]propan-2-ol
CID 52917656
2-methyl-N-[(2R)-2-[(2-methylpropan-2-yl)oxy]-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propyl]propan-2-amine
CID 126710401
(2S)-1-[(1,1,1,3,3,3-hexadeuterio-2-methylpropan-2-yl)amino]-3-[[4-(3,3,5,5-tetradeuteriomorpholin-4-yl)-1,2,5-thiadiazol-3-yl]oxy]propan-2-ol
CID 58222759
methyl 2-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]acetate
CID 666373
(1S)-1-(tert-butylamino)-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-1-ol
CID 122538515
(E)-4-benzoyloxy-4-oxobut-2-enoic acid;(2S)-1-(tert-butylamino)-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-2-ol
CID 88622524
N-[2,3-bis[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propyl]-2-methylpropan-2-amine;but-2-enedioic acid
CID 171370713

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(ethylamino)-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-2-ol?
The IUPAC name of (2R)-1-(ethylamino)-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-2-ol (CID 76968009) is (2R)-1-(ethylamino)-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-2-ol.
What is the SMILES notation for (2R)-1-(ethylamino)-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-2-ol?
The canonical SMILES for (2R)-1-(ethylamino)-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-2-ol is CCNC[C@@H](O)COc1nsnc1N1CCOCC1.
What is the InChIKey of (2R)-1-(ethylamino)-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-2-ol?
The InChIKey is HXWIWDGXFHZHLV-SECBINFHSA-N. The full InChI is InChI=1S/C11H20N4O3S/c1-2-12-7-9(16)8-18-11-10(13-19-14-11)15-3-5-17-6-4-15/h9,12,16H,2-8H2,1H3/t9-/m1/s1.
What are the key properties of (2R)-1-(ethylamino)-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-2-ol?
(2R)-1-(ethylamino)-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-2-ol has a molecular weight of 288.37 g/mol, XLogP of -0.28, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(ethylamino)-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-2-ol is sourced from PubChem (CID 76968009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).