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

C8H13N3OS2 — CID 60588487

IUPAC4-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)morpholine
SMILESCCSc1nnc(N2CCOCC2)s1
InChIInChI=1S/C8H13N3OS2/c1-2-13-8-10-9-7(14-8)11-3-5-12-6-4-11/h2-6H2,1H3
InChIKeyWDDSLPNELINGEP-UHFFFAOYSA-N
MW231.35 g/mol
LogP1.49
Rot. Bonds3

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

4-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)morpholine (PubChem CID 60588487) has the molecular formula C8H13N3OS2 and a molecular weight of 231.35 g/mol. Its IUPAC name is 4-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)morpholine.

Molecular Properties

Compound Name4-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)morpholine
PubChem CID60588487
Molecular FormulaC8H13N3OS2
Molecular Weight231.35 g/mol
Exact Mass231.05
IUPAC Name4-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)morpholine
SMILESCCSc1nnc(N2CCOCC2)s1
InChIInChI=1S/C8H13N3OS2/c1-2-13-8-10-9-7(14-8)11-3-5-12-6-4-11/h2-6H2,1H3
InChIKeyWDDSLPNELINGEP-UHFFFAOYSA-N
XLogP1.49
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.35
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)morpholine?
The IUPAC name of 4-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)morpholine (CID 60588487) is 4-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)morpholine.
What is the SMILES notation for 4-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)morpholine?
The canonical SMILES for 4-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)morpholine is CCSc1nnc(N2CCOCC2)s1.
What is the InChIKey of 4-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)morpholine?
The InChIKey is WDDSLPNELINGEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3OS2/c1-2-13-8-10-9-7(14-8)11-3-5-12-6-4-11/h2-6H2,1H3.
What are the key properties of 4-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)morpholine?
4-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)morpholine has a molecular weight of 231.35 g/mol, XLogP of 1.49, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)morpholine is sourced from PubChem (CID 60588487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).