4-(1,2,4-thiadiazol-5-yl)thiomorpholine

C6H9N3S2 — CID 89385910

IUPAC4-(1,2,4-thiadiazol-5-yl)thiomorpholine
SMILESc1nsc(N2CCSCC2)n1
InChIInChI=1S/C6H9N3S2/c1-3-10-4-2-9(1)6-7-5-8-11-6/h5H,1-4H2
InChIKeySYXMSCFTFPDFLD-UHFFFAOYSA-N
MW187.29 g/mol
LogP1.09
Rot. Bonds1

About 4-(1,2,4-thiadiazol-5-yl)thiomorpholine

4-(1,2,4-thiadiazol-5-yl)thiomorpholine (PubChem CID 89385910) has the molecular formula C6H9N3S2 and a molecular weight of 187.29 g/mol. Its IUPAC name is 4-(1,2,4-thiadiazol-5-yl)thiomorpholine.

Molecular Properties

Compound Name4-(1,2,4-thiadiazol-5-yl)thiomorpholine
PubChem CID89385910
Molecular FormulaC6H9N3S2
Molecular Weight187.29 g/mol
Exact Mass187.02
IUPAC Name4-(1,2,4-thiadiazol-5-yl)thiomorpholine
SMILESc1nsc(N2CCSCC2)n1
InChIInChI=1S/C6H9N3S2/c1-3-10-4-2-9(1)6-7-5-8-11-6/h5H,1-4H2
InChIKeySYXMSCFTFPDFLD-UHFFFAOYSA-N
XLogP1.09
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.29
LogP ≤ 51.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(1,2,4-thiadiazol-5-yl)thiomorpholine?
The IUPAC name of 4-(1,2,4-thiadiazol-5-yl)thiomorpholine (CID 89385910) is 4-(1,2,4-thiadiazol-5-yl)thiomorpholine.
What is the SMILES notation for 4-(1,2,4-thiadiazol-5-yl)thiomorpholine?
The canonical SMILES for 4-(1,2,4-thiadiazol-5-yl)thiomorpholine is c1nsc(N2CCSCC2)n1.
What is the InChIKey of 4-(1,2,4-thiadiazol-5-yl)thiomorpholine?
The InChIKey is SYXMSCFTFPDFLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3S2/c1-3-10-4-2-9(1)6-7-5-8-11-6/h5H,1-4H2.
What are the key properties of 4-(1,2,4-thiadiazol-5-yl)thiomorpholine?
4-(1,2,4-thiadiazol-5-yl)thiomorpholine has a molecular weight of 187.29 g/mol, XLogP of 1.09, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,2,4-thiadiazol-5-yl)thiomorpholine is sourced from PubChem (CID 89385910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).