4-(5-pyrimidin-2-ylsulfanyl-1,3,4-thiadiazol-2-yl)morpholine

C10H11N5OS2 — CID 133291466

IUPAC4-(5-pyrimidin-2-ylsulfanyl-1,3,4-thiadiazol-2-yl)morpholine
SMILESc1cnc(Sc2nnc(N3CCOCC3)s2)nc1
InChIInChI=1S/C10H11N5OS2/c1-2-11-8(12-3-1)17-10-14-13-9(18-10)15-4-6-16-7-5-15/h1-3H,4-7H2
InChIKeyOAFODZPMYFJQOF-UHFFFAOYSA-N
MW281.37 g/mol
LogP1.32
Rot. Bonds3

About 4-(5-pyrimidin-2-ylsulfanyl-1,3,4-thiadiazol-2-yl)morpholine

4-(5-pyrimidin-2-ylsulfanyl-1,3,4-thiadiazol-2-yl)morpholine (PubChem CID 133291466) has the molecular formula C10H11N5OS2 and a molecular weight of 281.37 g/mol. Its IUPAC name is 4-(5-pyrimidin-2-ylsulfanyl-1,3,4-thiadiazol-2-yl)morpholine.

Molecular Properties

Compound Name4-(5-pyrimidin-2-ylsulfanyl-1,3,4-thiadiazol-2-yl)morpholine
PubChem CID133291466
Molecular FormulaC10H11N5OS2
Molecular Weight281.37 g/mol
Exact Mass281.04
IUPAC Name4-(5-pyrimidin-2-ylsulfanyl-1,3,4-thiadiazol-2-yl)morpholine
SMILESc1cnc(Sc2nnc(N3CCOCC3)s2)nc1
InChIInChI=1S/C10H11N5OS2/c1-2-11-8(12-3-1)17-10-14-13-9(18-10)15-4-6-16-7-5-15/h1-3H,4-7H2
InChIKeyOAFODZPMYFJQOF-UHFFFAOYSA-N
XLogP1.32
TPSA64.03 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.37
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-(5-pyrimidin-2-ylsulfanyl-1,3,4-thiadiazol-2-yl)morpholine?
The IUPAC name of 4-(5-pyrimidin-2-ylsulfanyl-1,3,4-thiadiazol-2-yl)morpholine (CID 133291466) is 4-(5-pyrimidin-2-ylsulfanyl-1,3,4-thiadiazol-2-yl)morpholine.
What is the SMILES notation for 4-(5-pyrimidin-2-ylsulfanyl-1,3,4-thiadiazol-2-yl)morpholine?
The canonical SMILES for 4-(5-pyrimidin-2-ylsulfanyl-1,3,4-thiadiazol-2-yl)morpholine is c1cnc(Sc2nnc(N3CCOCC3)s2)nc1.
What is the InChIKey of 4-(5-pyrimidin-2-ylsulfanyl-1,3,4-thiadiazol-2-yl)morpholine?
The InChIKey is OAFODZPMYFJQOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N5OS2/c1-2-11-8(12-3-1)17-10-14-13-9(18-10)15-4-6-16-7-5-15/h1-3H,4-7H2.
What are the key properties of 4-(5-pyrimidin-2-ylsulfanyl-1,3,4-thiadiazol-2-yl)morpholine?
4-(5-pyrimidin-2-ylsulfanyl-1,3,4-thiadiazol-2-yl)morpholine has a molecular weight of 281.37 g/mol, XLogP of 1.32, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-pyrimidin-2-ylsulfanyl-1,3,4-thiadiazol-2-yl)morpholine is sourced from PubChem (CID 133291466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).