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

C9H16N4O3S — CID 18984519

IUPAC1-amino-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-2-ol
SMILESNCC(O)COc1nsnc1N1CCOCC1
InChIInChI=1S/C9H16N4O3S/c10-5-7(14)6-16-9-8(11-17-12-9)13-1-3-15-4-2-13/h7,14H,1-6,10H2
InChIKeyBYUTYPUOTAHAOE-UHFFFAOYSA-N
MW260.32 g/mol
LogP-0.93
Rot. Bonds5

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

1-amino-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-2-ol (PubChem CID 18984519) has the molecular formula C9H16N4O3S and a molecular weight of 260.32 g/mol. Its IUPAC name is 1-amino-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-2-ol.

Molecular Properties

Compound Name1-amino-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-2-ol
PubChem CID18984519
Molecular FormulaC9H16N4O3S
Molecular Weight260.32 g/mol
Exact Mass260.09
IUPAC Name1-amino-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-2-ol
SMILESNCC(O)COc1nsnc1N1CCOCC1
InChIInChI=1S/C9H16N4O3S/c10-5-7(14)6-16-9-8(11-17-12-9)13-1-3-15-4-2-13/h7,14H,1-6,10H2
InChIKeyBYUTYPUOTAHAOE-UHFFFAOYSA-N
XLogP-0.93
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.32
LogP ≤ 5-0.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-amino-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-2-ol?
The IUPAC name of 1-amino-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-2-ol (CID 18984519) is 1-amino-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-2-ol.
What is the SMILES notation for 1-amino-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-2-ol?
The canonical SMILES for 1-amino-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-2-ol is NCC(O)COc1nsnc1N1CCOCC1.
What is the InChIKey of 1-amino-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-2-ol?
The InChIKey is BYUTYPUOTAHAOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O3S/c10-5-7(14)6-16-9-8(11-17-12-9)13-1-3-15-4-2-13/h7,14H,1-6,10H2.
What are the key properties of 1-amino-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-2-ol?
1-amino-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-2-ol has a molecular weight of 260.32 g/mol, XLogP of -0.93, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-2-ol is sourced from PubChem (CID 18984519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).