4-[5-(6-morpholin-4-ylpyrazin-2-yl)-1,3,4-thiadiazol-2-yl]morpholine

C14H18N6O2S — CID 11771977

IUPAC4-[5-(6-morpholin-4-ylpyrazin-2-yl)-1,3,4-thiadiazol-2-yl]morpholine
SMILESc1ncc(N2CCOCC2)nc1-c1nnc(N2CCOCC2)s1
InChIInChI=1S/C14H18N6O2S/c1-5-21-6-2-19(1)12-10-15-9-11(16-12)13-17-18-14(23-13)20-3-7-22-8-4-20/h9-10H,1-8H2
InChIKeyREKVHGCIAWBEPZ-UHFFFAOYSA-N
MW334.41 g/mol
LogP0.67
Rot. Bonds3

About 4-[5-(6-morpholin-4-ylpyrazin-2-yl)-1,3,4-thiadiazol-2-yl]morpholine

4-[5-(6-morpholin-4-ylpyrazin-2-yl)-1,3,4-thiadiazol-2-yl]morpholine (PubChem CID 11771977) has the molecular formula C14H18N6O2S and a molecular weight of 334.41 g/mol. Its IUPAC name is 4-[5-(6-morpholin-4-ylpyrazin-2-yl)-1,3,4-thiadiazol-2-yl]morpholine.

Molecular Properties

Compound Name4-[5-(6-morpholin-4-ylpyrazin-2-yl)-1,3,4-thiadiazol-2-yl]morpholine
PubChem CID11771977
Molecular FormulaC14H18N6O2S
Molecular Weight334.41 g/mol
Exact Mass334.12
IUPAC Name4-[5-(6-morpholin-4-ylpyrazin-2-yl)-1,3,4-thiadiazol-2-yl]morpholine
SMILESc1ncc(N2CCOCC2)nc1-c1nnc(N2CCOCC2)s1
InChIInChI=1S/C14H18N6O2S/c1-5-21-6-2-19(1)12-10-15-9-11(16-12)13-17-18-14(23-13)20-3-7-22-8-4-20/h9-10H,1-8H2
InChIKeyREKVHGCIAWBEPZ-UHFFFAOYSA-N
XLogP0.67
TPSA76.50 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.41
LogP ≤ 50.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(6-morpholin-4-ylpyrazin-2-yl)-1,3,4-thiadiazol-2-yl]morpholine?
The IUPAC name of 4-[5-(6-morpholin-4-ylpyrazin-2-yl)-1,3,4-thiadiazol-2-yl]morpholine (CID 11771977) is 4-[5-(6-morpholin-4-ylpyrazin-2-yl)-1,3,4-thiadiazol-2-yl]morpholine.
What is the SMILES notation for 4-[5-(6-morpholin-4-ylpyrazin-2-yl)-1,3,4-thiadiazol-2-yl]morpholine?
The canonical SMILES for 4-[5-(6-morpholin-4-ylpyrazin-2-yl)-1,3,4-thiadiazol-2-yl]morpholine is c1ncc(N2CCOCC2)nc1-c1nnc(N2CCOCC2)s1.
What is the InChIKey of 4-[5-(6-morpholin-4-ylpyrazin-2-yl)-1,3,4-thiadiazol-2-yl]morpholine?
The InChIKey is REKVHGCIAWBEPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N6O2S/c1-5-21-6-2-19(1)12-10-15-9-11(16-12)13-17-18-14(23-13)20-3-7-22-8-4-20/h9-10H,1-8H2.
What are the key properties of 4-[5-(6-morpholin-4-ylpyrazin-2-yl)-1,3,4-thiadiazol-2-yl]morpholine?
4-[5-(6-morpholin-4-ylpyrazin-2-yl)-1,3,4-thiadiazol-2-yl]morpholine has a molecular weight of 334.41 g/mol, XLogP of 0.67, 3 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(6-morpholin-4-ylpyrazin-2-yl)-1,3,4-thiadiazol-2-yl]morpholine is sourced from PubChem (CID 11771977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).