methyl 2-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]acetate

C9H13N3O4S — CID 666373

IUPACmethyl 2-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]acetate
SMILESCOC(=O)COc1nsnc1N1CCOCC1
InChIInChI=1S/C9H13N3O4S/c1-14-7(13)6-16-9-8(10-17-11-9)12-2-4-15-5-3-12/h2-6H2,1H3
InChIKeyFXEZNRMPBPFTRR-UHFFFAOYSA-N
MW259.29 g/mol
LogP-0.07
Rot. Bonds4

About methyl 2-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]acetate

methyl 2-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]acetate (PubChem CID 666373) has the molecular formula C9H13N3O4S and a molecular weight of 259.29 g/mol. Its IUPAC name is methyl 2-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]acetate.

Molecular Properties

Compound Namemethyl 2-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]acetate
PubChem CID666373
Molecular FormulaC9H13N3O4S
Molecular Weight259.29 g/mol
Exact Mass259.06
IUPAC Namemethyl 2-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]acetate
SMILESCOC(=O)COc1nsnc1N1CCOCC1
InChIInChI=1S/C9H13N3O4S/c1-14-7(13)6-16-9-8(10-17-11-9)12-2-4-15-5-3-12/h2-6H2,1H3
InChIKeyFXEZNRMPBPFTRR-UHFFFAOYSA-N
XLogP-0.07
TPSA73.78 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.29
LogP ≤ 5-0.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

methyl 2-[[4-(azepan-1-yl)-1,2,5-thiadiazol-3-yl]oxy]acetate
CID 43949441
methyl 2-[[4-(4-methylpiperazin-1-yl)-1,2,5-thiadiazol-3-yl]oxy]acetate
CID 43949685
[(Z)-[2-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]-1-phenylethylidene]amino]urea
CID 42426581
(1S)-1-(tert-butylamino)-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-1-ol
CID 122538515
(2R)-1-(ethylamino)-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-2-ol
CID 76968009
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
2-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]-N-[4-(piperidine-1-carbonyl)phenyl]acetamide
CID 5298728
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
5-O-[(2S)-1-(tert-butylamino)-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-2-yl] 1-O-ethyl pentanedioate
CID 166812209
(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
4-[1-(tert-butylamino)-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-2-yl]oxy-4-oxobut-2-enoic acid
CID 54070841

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]acetate?
The IUPAC name of methyl 2-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]acetate (CID 666373) is methyl 2-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]acetate.
What is the SMILES notation for methyl 2-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]acetate?
The canonical SMILES for methyl 2-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]acetate is COC(=O)COc1nsnc1N1CCOCC1.
What is the InChIKey of methyl 2-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]acetate?
The InChIKey is FXEZNRMPBPFTRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O4S/c1-14-7(13)6-16-9-8(10-17-11-9)12-2-4-15-5-3-12/h2-6H2,1H3.
What are the key properties of methyl 2-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]acetate?
methyl 2-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]acetate has a molecular weight of 259.29 g/mol, XLogP of -0.07, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]acetate is sourced from PubChem (CID 666373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).