6-(morpholine-4-carbonyl)-2-morpholin-4-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one

C14H17N5O4S — CID 20942749

IUPAC6-(morpholine-4-carbonyl)-2-morpholin-4-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
SMILESO=C(c1cnc2sc(N3CCOCC3)nn2c1=O)N1CCOCC1
InChIInChI=1S/C14H17N5O4S/c20-11(17-1-5-22-6-2-17)10-9-15-13-19(12(10)21)16-14(24-13)18-3-7-23-8-4-18/h9H,1-8H2
InChIKeyAMTKXKXRLSKLCL-UHFFFAOYSA-N
MW351.39 g/mol
LogP-0.54
Rot. Bonds2

About 6-(morpholine-4-carbonyl)-2-morpholin-4-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one

6-(morpholine-4-carbonyl)-2-morpholin-4-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one (PubChem CID 20942749) has the molecular formula C14H17N5O4S and a molecular weight of 351.39 g/mol. Its IUPAC name is 6-(morpholine-4-carbonyl)-2-morpholin-4-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name6-(morpholine-4-carbonyl)-2-morpholin-4-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
PubChem CID20942749
Molecular FormulaC14H17N5O4S
Molecular Weight351.39 g/mol
Exact Mass351.10
IUPAC Name6-(morpholine-4-carbonyl)-2-morpholin-4-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
SMILESO=C(c1cnc2sc(N3CCOCC3)nn2c1=O)N1CCOCC1
InChIInChI=1S/C14H17N5O4S/c20-11(17-1-5-22-6-2-17)10-9-15-13-19(12(10)21)16-14(24-13)18-3-7-23-8-4-18/h9H,1-8H2
InChIKeyAMTKXKXRLSKLCL-UHFFFAOYSA-N
XLogP-0.54
TPSA89.27 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.39
LogP ≤ 5-0.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 6-(morpholine-4-carbonyl)-2-morpholin-4-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 6-(morpholine-4-carbonyl)-2-morpholin-4-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one (CID 20942749) is 6-(morpholine-4-carbonyl)-2-morpholin-4-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 6-(morpholine-4-carbonyl)-2-morpholin-4-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 6-(morpholine-4-carbonyl)-2-morpholin-4-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one is O=C(c1cnc2sc(N3CCOCC3)nn2c1=O)N1CCOCC1.
What is the InChIKey of 6-(morpholine-4-carbonyl)-2-morpholin-4-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is AMTKXKXRLSKLCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O4S/c20-11(17-1-5-22-6-2-17)10-9-15-13-19(12(10)21)16-14(24-13)18-3-7-23-8-4-18/h9H,1-8H2.
What are the key properties of 6-(morpholine-4-carbonyl)-2-morpholin-4-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one?
6-(morpholine-4-carbonyl)-2-morpholin-4-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 351.39 g/mol, XLogP of -0.54, 2 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(morpholine-4-carbonyl)-2-morpholin-4-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 20942749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).