4-(3-ethyl-1,2,4-thiadiazol-5-yl)-2-thiophen-2-ylmorpholine

C12H15N3OS2 — CID 133363593

IUPAC4-(3-ethyl-1,2,4-thiadiazol-5-yl)-2-thiophen-2-ylmorpholine
SMILESCCc1nsc(N2CCOC(c3cccs3)C2)n1
InChIInChI=1S/C12H15N3OS2/c1-2-11-13-12(18-14-11)15-5-6-16-9(8-15)10-4-3-7-17-10/h3-4,7,9H,2,5-6,8H2,1H3
InChIKeyBUCGOPUHHLTWQA-UHFFFAOYSA-N
MW281.41 g/mol
LogP2.74
Rot. Bonds3

About 4-(3-ethyl-1,2,4-thiadiazol-5-yl)-2-thiophen-2-ylmorpholine

4-(3-ethyl-1,2,4-thiadiazol-5-yl)-2-thiophen-2-ylmorpholine (PubChem CID 133363593) has the molecular formula C12H15N3OS2 and a molecular weight of 281.41 g/mol. Its IUPAC name is 4-(3-ethyl-1,2,4-thiadiazol-5-yl)-2-thiophen-2-ylmorpholine.

Molecular Properties

Compound Name4-(3-ethyl-1,2,4-thiadiazol-5-yl)-2-thiophen-2-ylmorpholine
PubChem CID133363593
Molecular FormulaC12H15N3OS2
Molecular Weight281.41 g/mol
Exact Mass281.07
IUPAC Name4-(3-ethyl-1,2,4-thiadiazol-5-yl)-2-thiophen-2-ylmorpholine
SMILESCCc1nsc(N2CCOC(c3cccs3)C2)n1
InChIInChI=1S/C12H15N3OS2/c1-2-11-13-12(18-14-11)15-5-6-16-9(8-15)10-4-3-7-17-10/h3-4,7,9H,2,5-6,8H2,1H3
InChIKeyBUCGOPUHHLTWQA-UHFFFAOYSA-N
XLogP2.74
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.41
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(3-ethyl-1,2,4-thiadiazol-5-yl)-2-thiophen-2-ylmorpholine?
The IUPAC name of 4-(3-ethyl-1,2,4-thiadiazol-5-yl)-2-thiophen-2-ylmorpholine (CID 133363593) is 4-(3-ethyl-1,2,4-thiadiazol-5-yl)-2-thiophen-2-ylmorpholine.
What is the SMILES notation for 4-(3-ethyl-1,2,4-thiadiazol-5-yl)-2-thiophen-2-ylmorpholine?
The canonical SMILES for 4-(3-ethyl-1,2,4-thiadiazol-5-yl)-2-thiophen-2-ylmorpholine is CCc1nsc(N2CCOC(c3cccs3)C2)n1.
What is the InChIKey of 4-(3-ethyl-1,2,4-thiadiazol-5-yl)-2-thiophen-2-ylmorpholine?
The InChIKey is BUCGOPUHHLTWQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3OS2/c1-2-11-13-12(18-14-11)15-5-6-16-9(8-15)10-4-3-7-17-10/h3-4,7,9H,2,5-6,8H2,1H3.
What are the key properties of 4-(3-ethyl-1,2,4-thiadiazol-5-yl)-2-thiophen-2-ylmorpholine?
4-(3-ethyl-1,2,4-thiadiazol-5-yl)-2-thiophen-2-ylmorpholine has a molecular weight of 281.41 g/mol, XLogP of 2.74, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-ethyl-1,2,4-thiadiazol-5-yl)-2-thiophen-2-ylmorpholine is sourced from PubChem (CID 133363593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).