1-morpholin-4-yl-3-[4-(thiadiazol-4-yl)phenoxy]propan-2-ol

C15H19N3O3S — CID 2740135

IUPAC1-morpholin-4-yl-3-[4-(thiadiazol-4-yl)phenoxy]propan-2-ol
SMILESOC(COc1ccc(-c2csnn2)cc1)CN1CCOCC1
InChIInChI=1S/C15H19N3O3S/c19-13(9-18-5-7-20-8-6-18)10-21-14-3-1-12(2-4-14)15-11-22-17-16-15/h1-4,11,13,19H,5-10H2
InChIKeyXZMXXGOGJMTPIM-UHFFFAOYSA-N
MW321.40 g/mol
LogP1.28
Rot. Bonds6

About 1-morpholin-4-yl-3-[4-(thiadiazol-4-yl)phenoxy]propan-2-ol

1-morpholin-4-yl-3-[4-(thiadiazol-4-yl)phenoxy]propan-2-ol (PubChem CID 2740135) has the molecular formula C15H19N3O3S and a molecular weight of 321.40 g/mol. Its IUPAC name is 1-morpholin-4-yl-3-[4-(thiadiazol-4-yl)phenoxy]propan-2-ol.

Molecular Properties

Compound Name1-morpholin-4-yl-3-[4-(thiadiazol-4-yl)phenoxy]propan-2-ol
PubChem CID2740135
Molecular FormulaC15H19N3O3S
Molecular Weight321.40 g/mol
Exact Mass321.11
IUPAC Name1-morpholin-4-yl-3-[4-(thiadiazol-4-yl)phenoxy]propan-2-ol
SMILESOC(COc1ccc(-c2csnn2)cc1)CN1CCOCC1
InChIInChI=1S/C15H19N3O3S/c19-13(9-18-5-7-20-8-6-18)10-21-14-3-1-12(2-4-14)15-11-22-17-16-15/h1-4,11,13,19H,5-10H2
InChIKeyXZMXXGOGJMTPIM-UHFFFAOYSA-N
XLogP1.28
TPSA67.71 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.40
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

ethane;1-(4-methylphenoxy)-3-morpholin-4-ylpropan-2-ol
CID 144771734
(2S)-1-(4-bromophenoxy)-3-morpholin-4-ylpropan-2-ol
CID 735568
4-[4-(2-hydroxy-3-morpholin-4-ylpropoxy)phenyl]benzonitrile
CID 3133121
1-(4-bromophenoxy)-3-morpholin-4-ylpropan-2-ol;hydron;chloride
CID 2999825
1-morpholin-4-yl-3-(4-pyrrolidin-1-ylphenoxy)propan-2-ol
CID 109416651
4-(2-hydroxy-3-morpholin-4-ylpropoxy)benzonitrile
CID 3746908
2-[4-[(2R)-2-hydroxy-3-morpholin-4-ylpropoxy]phenyl]acetamide
CID 7100169
1-[4-[(2R)-2-hydroxy-3-morpholin-4-ylpropoxy]phenyl]propan-1-one
CID 977024
(2S)-1-[4-(1-adamantyl)phenoxy]-3-morpholin-4-ylpropan-2-ol
CID 7058360
(2S)-1-(3,4-dimethylphenoxy)-3-morpholin-4-ylpropan-2-ol
CID 692870
methyl 4-[(2S)-2-hydroxy-3-morpholin-4-ylpropoxy]benzoate
CID 754353
1-[4-(1-adamantyl)phenoxy]-3-morpholin-4-ylpropan-2-ol chloride
CID 21237452

Frequently Asked Questions

What is the IUPAC name of 1-morpholin-4-yl-3-[4-(thiadiazol-4-yl)phenoxy]propan-2-ol?
The IUPAC name of 1-morpholin-4-yl-3-[4-(thiadiazol-4-yl)phenoxy]propan-2-ol (CID 2740135) is 1-morpholin-4-yl-3-[4-(thiadiazol-4-yl)phenoxy]propan-2-ol.
What is the SMILES notation for 1-morpholin-4-yl-3-[4-(thiadiazol-4-yl)phenoxy]propan-2-ol?
The canonical SMILES for 1-morpholin-4-yl-3-[4-(thiadiazol-4-yl)phenoxy]propan-2-ol is OC(COc1ccc(-c2csnn2)cc1)CN1CCOCC1.
What is the InChIKey of 1-morpholin-4-yl-3-[4-(thiadiazol-4-yl)phenoxy]propan-2-ol?
The InChIKey is XZMXXGOGJMTPIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3S/c19-13(9-18-5-7-20-8-6-18)10-21-14-3-1-12(2-4-14)15-11-22-17-16-15/h1-4,11,13,19H,5-10H2.
What are the key properties of 1-morpholin-4-yl-3-[4-(thiadiazol-4-yl)phenoxy]propan-2-ol?
1-morpholin-4-yl-3-[4-(thiadiazol-4-yl)phenoxy]propan-2-ol has a molecular weight of 321.40 g/mol, XLogP of 1.28, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-morpholin-4-yl-3-[4-(thiadiazol-4-yl)phenoxy]propan-2-ol is sourced from PubChem (CID 2740135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).