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

C10H17N3OS2 — CID 60588527

IUPAC4-(5-butylsulfanyl-1,3,4-thiadiazol-2-yl)morpholine
SMILESCCCCSc1nnc(N2CCOCC2)s1
InChIInChI=1S/C10H17N3OS2/c1-2-3-8-15-10-12-11-9(16-10)13-4-6-14-7-5-13/h2-8H2,1H3
InChIKeyZQODLRZHEFWTMD-UHFFFAOYSA-N
MW259.40 g/mol
LogP2.27
Rot. Bonds5

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

4-(5-butylsulfanyl-1,3,4-thiadiazol-2-yl)morpholine (PubChem CID 60588527) has the molecular formula C10H17N3OS2 and a molecular weight of 259.40 g/mol. Its IUPAC name is 4-(5-butylsulfanyl-1,3,4-thiadiazol-2-yl)morpholine.

Molecular Properties

Compound Name4-(5-butylsulfanyl-1,3,4-thiadiazol-2-yl)morpholine
PubChem CID60588527
Molecular FormulaC10H17N3OS2
Molecular Weight259.40 g/mol
Exact Mass259.08
IUPAC Name4-(5-butylsulfanyl-1,3,4-thiadiazol-2-yl)morpholine
SMILESCCCCSc1nnc(N2CCOCC2)s1
InChIInChI=1S/C10H17N3OS2/c1-2-3-8-15-10-12-11-9(16-10)13-4-6-14-7-5-13/h2-8H2,1H3
InChIKeyZQODLRZHEFWTMD-UHFFFAOYSA-N
XLogP2.27
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.40
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(5-butylsulfanyl-1,3,4-thiadiazol-2-yl)morpholine?
The IUPAC name of 4-(5-butylsulfanyl-1,3,4-thiadiazol-2-yl)morpholine (CID 60588527) is 4-(5-butylsulfanyl-1,3,4-thiadiazol-2-yl)morpholine.
What is the SMILES notation for 4-(5-butylsulfanyl-1,3,4-thiadiazol-2-yl)morpholine?
The canonical SMILES for 4-(5-butylsulfanyl-1,3,4-thiadiazol-2-yl)morpholine is CCCCSc1nnc(N2CCOCC2)s1.
What is the InChIKey of 4-(5-butylsulfanyl-1,3,4-thiadiazol-2-yl)morpholine?
The InChIKey is ZQODLRZHEFWTMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3OS2/c1-2-3-8-15-10-12-11-9(16-10)13-4-6-14-7-5-13/h2-8H2,1H3.
What are the key properties of 4-(5-butylsulfanyl-1,3,4-thiadiazol-2-yl)morpholine?
4-(5-butylsulfanyl-1,3,4-thiadiazol-2-yl)morpholine has a molecular weight of 259.40 g/mol, XLogP of 2.27, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-butylsulfanyl-1,3,4-thiadiazol-2-yl)morpholine is sourced from PubChem (CID 60588527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).