1-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-3-morpholin-4-ylpropan-2-ol

C11H20N4O2S2 — CID 47134986

About 1-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-3-morpholin-4-ylpropan-2-ol

1-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-3-morpholin-4-ylpropan-2-ol (PubChem CID 47134986) has the molecular formula C11H20N4O2S2 and a molecular weight of 304.44 g/mol. Its IUPAC name is 1-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-3-morpholin-4-ylpropan-2-ol.

Molecular Properties

• Compound Name: 1-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-3-morpholin-4-ylpropan-2-ol
• PubChem CID: 47134986
• Molecular Formula: C11H20N4O2S2
• Molecular Weight: 304.44 g/mol
• Exact Mass: 304.10
• IUPAC Name: 1-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-3-morpholin-4-ylpropan-2-ol
• SMILES: CCNc1nnc(SCC(O)CN2CCOCC2)s1
• InChI: InChI=1S/C11H20N4O2S2/c1-2-12-10-13-14-11(19-10)18-8-9(16)7-15-3-5-17-6-4-15/h9,16H,2-8H2,1H3,(H,12,13)
• InChIKey: VQXNZLHRIOKAQU-UHFFFAOYSA-N
• XLogP: 0.76
• TPSA: 70.51 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 19
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	304.44
LogP ≤ 5	0.76
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 1-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-3-morpholin-4-ylpropan-2-ol?

The IUPAC name of 1-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-3-morpholin-4-ylpropan-2-ol (CID 47134986) is 1-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-3-morpholin-4-ylpropan-2-ol.

What is the SMILES notation for 1-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-3-morpholin-4-ylpropan-2-ol?

The canonical SMILES for 1-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-3-morpholin-4-ylpropan-2-ol is CCNc1nnc(SCC(O)CN2CCOCC2)s1.

What is the InChIKey of 1-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-3-morpholin-4-ylpropan-2-ol?

The InChIKey is VQXNZLHRIOKAQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O2S2/c1-2-12-10-13-14-11(19-10)18-8-9(16)7-15-3-5-17-6-4-15/h9,16H,2-8H2,1H3,(H,12,13).

What are the key properties of 1-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-3-morpholin-4-ylpropan-2-ol?

1-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-3-morpholin-4-ylpropan-2-ol has a molecular weight of 304.44 g/mol, XLogP of 0.76, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-3-morpholin-4-ylpropan-2-ol is sourced from PubChem (CID 47134986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).