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

C10H11N5OS — CID 11528910

IUPAC4-(5-pyrazin-2-yl-1,3,4-thiadiazol-2-yl)morpholine
SMILESc1cnc(-c2nnc(N3CCOCC3)s2)cn1
InChIInChI=1S/C10H11N5OS/c1-2-12-8(7-11-1)9-13-14-10(17-9)15-3-5-16-6-4-15/h1-2,7H,3-6H2
InChIKeyIKXQQNUSCVVTHL-UHFFFAOYSA-N
MW249.30 g/mol
LogP0.83
Rot. Bonds2

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

4-(5-pyrazin-2-yl-1,3,4-thiadiazol-2-yl)morpholine (PubChem CID 11528910) has the molecular formula C10H11N5OS and a molecular weight of 249.30 g/mol. Its IUPAC name is 4-(5-pyrazin-2-yl-1,3,4-thiadiazol-2-yl)morpholine.

Molecular Properties

Compound Name4-(5-pyrazin-2-yl-1,3,4-thiadiazol-2-yl)morpholine
PubChem CID11528910
Molecular FormulaC10H11N5OS
Molecular Weight249.30 g/mol
Exact Mass249.07
IUPAC Name4-(5-pyrazin-2-yl-1,3,4-thiadiazol-2-yl)morpholine
SMILESc1cnc(-c2nnc(N3CCOCC3)s2)cn1
InChIInChI=1S/C10H11N5OS/c1-2-12-8(7-11-1)9-13-14-10(17-9)15-3-5-16-6-4-15/h1-2,7H,3-6H2
InChIKeyIKXQQNUSCVVTHL-UHFFFAOYSA-N
XLogP0.83
TPSA64.03 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.30
LogP ≤ 50.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-(5-pyrazin-2-yl-1,3,4-thiadiazol-2-yl)morpholine?
The IUPAC name of 4-(5-pyrazin-2-yl-1,3,4-thiadiazol-2-yl)morpholine (CID 11528910) is 4-(5-pyrazin-2-yl-1,3,4-thiadiazol-2-yl)morpholine.
What is the SMILES notation for 4-(5-pyrazin-2-yl-1,3,4-thiadiazol-2-yl)morpholine?
The canonical SMILES for 4-(5-pyrazin-2-yl-1,3,4-thiadiazol-2-yl)morpholine is c1cnc(-c2nnc(N3CCOCC3)s2)cn1.
What is the InChIKey of 4-(5-pyrazin-2-yl-1,3,4-thiadiazol-2-yl)morpholine?
The InChIKey is IKXQQNUSCVVTHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N5OS/c1-2-12-8(7-11-1)9-13-14-10(17-9)15-3-5-16-6-4-15/h1-2,7H,3-6H2.
What are the key properties of 4-(5-pyrazin-2-yl-1,3,4-thiadiazol-2-yl)morpholine?
4-(5-pyrazin-2-yl-1,3,4-thiadiazol-2-yl)morpholine has a molecular weight of 249.30 g/mol, XLogP of 0.83, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-pyrazin-2-yl-1,3,4-thiadiazol-2-yl)morpholine is sourced from PubChem (CID 11528910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).