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

C7H11N3OS — CID 58663759

IUPAC4-(5-methyl-1,3,4-thiadiazol-2-yl)morpholine
SMILESCc1nnc(N2CCOCC2)s1
InChIInChI=1S/C7H11N3OS/c1-6-8-9-7(12-6)10-2-4-11-5-3-10/h2-5H2,1H3
InChIKeyMMJYZGLPGKPRTO-UHFFFAOYSA-N
MW185.25 g/mol
LogP0.68
Rot. Bonds1

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

4-(5-methyl-1,3,4-thiadiazol-2-yl)morpholine (PubChem CID 58663759) has the molecular formula C7H11N3OS and a molecular weight of 185.25 g/mol. Its IUPAC name is 4-(5-methyl-1,3,4-thiadiazol-2-yl)morpholine.

Molecular Properties

Compound Name4-(5-methyl-1,3,4-thiadiazol-2-yl)morpholine
PubChem CID58663759
Molecular FormulaC7H11N3OS
Molecular Weight185.25 g/mol
Exact Mass185.06
IUPAC Name4-(5-methyl-1,3,4-thiadiazol-2-yl)morpholine
SMILESCc1nnc(N2CCOCC2)s1
InChIInChI=1S/C7H11N3OS/c1-6-8-9-7(12-6)10-2-4-11-5-3-10/h2-5H2,1H3
InChIKeyMMJYZGLPGKPRTO-UHFFFAOYSA-N
XLogP0.68
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.25
LogP ≤ 50.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(5-methyl-1,3,4-thiadiazol-2-yl)morpholine?
The IUPAC name of 4-(5-methyl-1,3,4-thiadiazol-2-yl)morpholine (CID 58663759) is 4-(5-methyl-1,3,4-thiadiazol-2-yl)morpholine.
What is the SMILES notation for 4-(5-methyl-1,3,4-thiadiazol-2-yl)morpholine?
The canonical SMILES for 4-(5-methyl-1,3,4-thiadiazol-2-yl)morpholine is Cc1nnc(N2CCOCC2)s1.
What is the InChIKey of 4-(5-methyl-1,3,4-thiadiazol-2-yl)morpholine?
The InChIKey is MMJYZGLPGKPRTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3OS/c1-6-8-9-7(12-6)10-2-4-11-5-3-10/h2-5H2,1H3.
What are the key properties of 4-(5-methyl-1,3,4-thiadiazol-2-yl)morpholine?
4-(5-methyl-1,3,4-thiadiazol-2-yl)morpholine has a molecular weight of 185.25 g/mol, XLogP of 0.68, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-methyl-1,3,4-thiadiazol-2-yl)morpholine is sourced from PubChem (CID 58663759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).