4-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]morpholine

C9H15N3OS — CID 58668541

IUPAC4-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]morpholine
SMILESCc1nnc(CCN2CCOCC2)s1
InChIInChI=1S/C9H15N3OS/c1-8-10-11-9(14-8)2-3-12-4-6-13-7-5-12/h2-7H2,1H3
InChIKeyIRKDZJUCNOKLOH-UHFFFAOYSA-N
MW213.31 g/mol
LogP0.72
Rot. Bonds3

About 4-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]morpholine

4-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]morpholine (PubChem CID 58668541) has the molecular formula C9H15N3OS and a molecular weight of 213.31 g/mol. Its IUPAC name is 4-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]morpholine.

Molecular Properties

Compound Name4-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]morpholine
PubChem CID58668541
Molecular FormulaC9H15N3OS
Molecular Weight213.31 g/mol
Exact Mass213.09
IUPAC Name4-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]morpholine
SMILESCc1nnc(CCN2CCOCC2)s1
InChIInChI=1S/C9H15N3OS/c1-8-10-11-9(14-8)2-3-12-4-6-13-7-5-12/h2-7H2,1H3
InChIKeyIRKDZJUCNOKLOH-UHFFFAOYSA-N
XLogP0.72
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.31
LogP ≤ 50.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]morpholine?
The IUPAC name of 4-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]morpholine (CID 58668541) is 4-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]morpholine.
What is the SMILES notation for 4-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]morpholine?
The canonical SMILES for 4-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]morpholine is Cc1nnc(CCN2CCOCC2)s1.
What is the InChIKey of 4-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]morpholine?
The InChIKey is IRKDZJUCNOKLOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3OS/c1-8-10-11-9(14-8)2-3-12-4-6-13-7-5-12/h2-7H2,1H3.
What are the key properties of 4-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]morpholine?
4-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]morpholine has a molecular weight of 213.31 g/mol, XLogP of 0.72, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]morpholine is sourced from PubChem (CID 58668541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).