1-(2,6-dimethylmorpholin-4-yl)-3-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propan-2-ol

C13H24N4O2S2 — CID 47073551

IUPAC1-(2,6-dimethylmorpholin-4-yl)-3-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propan-2-ol
SMILESCCNc1nnc(SCC(O)CN2CC(C)OC(C)C2)s1
InChIInChI=1S/C13H24N4O2S2/c1-4-14-12-15-16-13(21-12)20-8-11(18)7-17-5-9(2)19-10(3)6-17/h9-11,18H,4-8H2,1-3H3,(H,14,15)
InChIKeyXEXBLDRBVOWMDE-UHFFFAOYSA-N
MW332.50 g/mol
LogP1.53
Rot. Bonds7

About 1-(2,6-dimethylmorpholin-4-yl)-3-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propan-2-ol

1-(2,6-dimethylmorpholin-4-yl)-3-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propan-2-ol (PubChem CID 47073551) has the molecular formula C13H24N4O2S2 and a molecular weight of 332.50 g/mol. Its IUPAC name is 1-(2,6-dimethylmorpholin-4-yl)-3-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propan-2-ol.

Molecular Properties

Compound Name1-(2,6-dimethylmorpholin-4-yl)-3-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propan-2-ol
PubChem CID47073551
Molecular FormulaC13H24N4O2S2
Molecular Weight332.50 g/mol
Exact Mass332.13
IUPAC Name1-(2,6-dimethylmorpholin-4-yl)-3-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propan-2-ol
SMILESCCNc1nnc(SCC(O)CN2CC(C)OC(C)C2)s1
InChIInChI=1S/C13H24N4O2S2/c1-4-14-12-15-16-13(21-12)20-8-11(18)7-17-5-9(2)19-10(3)6-17/h9-11,18H,4-8H2,1-3H3,(H,14,15)
InChIKeyXEXBLDRBVOWMDE-UHFFFAOYSA-N
XLogP1.53
TPSA70.51 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.50
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 1-(2,6-dimethylmorpholin-4-yl)-3-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propan-2-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethylmorpholin-4-yl)-3-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propan-2-ol?
The IUPAC name of 1-(2,6-dimethylmorpholin-4-yl)-3-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propan-2-ol (CID 47073551) is 1-(2,6-dimethylmorpholin-4-yl)-3-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propan-2-ol.
What is the SMILES notation for 1-(2,6-dimethylmorpholin-4-yl)-3-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propan-2-ol?
The canonical SMILES for 1-(2,6-dimethylmorpholin-4-yl)-3-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propan-2-ol is CCNc1nnc(SCC(O)CN2CC(C)OC(C)C2)s1.
What is the InChIKey of 1-(2,6-dimethylmorpholin-4-yl)-3-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propan-2-ol?
The InChIKey is XEXBLDRBVOWMDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O2S2/c1-4-14-12-15-16-13(21-12)20-8-11(18)7-17-5-9(2)19-10(3)6-17/h9-11,18H,4-8H2,1-3H3,(H,14,15).
What are the key properties of 1-(2,6-dimethylmorpholin-4-yl)-3-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propan-2-ol?
1-(2,6-dimethylmorpholin-4-yl)-3-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propan-2-ol has a molecular weight of 332.50 g/mol, XLogP of 1.53, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dimethylmorpholin-4-yl)-3-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propan-2-ol is sourced from PubChem (CID 47073551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).