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

C12H22N4O2S — CID 84591120

IUPAC1-morpholin-4-yl-3-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]propan-2-ol
SMILESCC(C)c1nsc(NCC(O)CN2CCOCC2)n1
InChIInChI=1S/C12H22N4O2S/c1-9(2)11-14-12(19-15-11)13-7-10(17)8-16-3-5-18-6-4-16/h9-10,17H,3-8H2,1-2H3,(H,13,14,15)
InChIKeyCHKKOMMICYGLFL-UHFFFAOYSA-N
MW286.40 g/mol
LogP0.77
Rot. Bonds6

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

1-morpholin-4-yl-3-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]propan-2-ol (PubChem CID 84591120) has the molecular formula C12H22N4O2S and a molecular weight of 286.40 g/mol. Its IUPAC name is 1-morpholin-4-yl-3-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]propan-2-ol.

Molecular Properties

Compound Name1-morpholin-4-yl-3-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]propan-2-ol
PubChem CID84591120
Molecular FormulaC12H22N4O2S
Molecular Weight286.40 g/mol
Exact Mass286.15
IUPAC Name1-morpholin-4-yl-3-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]propan-2-ol
SMILESCC(C)c1nsc(NCC(O)CN2CCOCC2)n1
InChIInChI=1S/C12H22N4O2S/c1-9(2)11-14-12(19-15-11)13-7-10(17)8-16-3-5-18-6-4-16/h9-10,17H,3-8H2,1-2H3,(H,13,14,15)
InChIKeyCHKKOMMICYGLFL-UHFFFAOYSA-N
XLogP0.77
TPSA70.51 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-morpholin-4-yl-3-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]propan-2-ol?
The IUPAC name of 1-morpholin-4-yl-3-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]propan-2-ol (CID 84591120) is 1-morpholin-4-yl-3-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]propan-2-ol.
What is the SMILES notation for 1-morpholin-4-yl-3-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]propan-2-ol?
The canonical SMILES for 1-morpholin-4-yl-3-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]propan-2-ol is CC(C)c1nsc(NCC(O)CN2CCOCC2)n1.
What is the InChIKey of 1-morpholin-4-yl-3-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]propan-2-ol?
The InChIKey is CHKKOMMICYGLFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O2S/c1-9(2)11-14-12(19-15-11)13-7-10(17)8-16-3-5-18-6-4-16/h9-10,17H,3-8H2,1-2H3,(H,13,14,15).
What are the key properties of 1-morpholin-4-yl-3-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]propan-2-ol?
1-morpholin-4-yl-3-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]propan-2-ol has a molecular weight of 286.40 g/mol, XLogP of 0.77, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-morpholin-4-yl-3-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]propan-2-ol is sourced from PubChem (CID 84591120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).