5-[(5-ethyl-2-methylmorpholin-4-yl)methyl]-N-methyl-1,3,4-thiadiazol-2-amine

C11H20N4OS — CID 80606107

IUPAC5-[(5-ethyl-2-methylmorpholin-4-yl)methyl]-N-methyl-1,3,4-thiadiazol-2-amine
SMILESCCC1COC(C)CN1Cc1nnc(NC)s1
InChIInChI=1S/C11H20N4OS/c1-4-9-7-16-8(2)5-15(9)6-10-13-14-11(12-3)17-10/h8-9H,4-7H2,1-3H3,(H,12,14)
InChIKeyQLWXOZJJIWPQDC-UHFFFAOYSA-N
MW256.37 g/mol
LogP1.58
Rot. Bonds4

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

5-[(5-ethyl-2-methylmorpholin-4-yl)methyl]-N-methyl-1,3,4-thiadiazol-2-amine (PubChem CID 80606107) has the molecular formula C11H20N4OS and a molecular weight of 256.37 g/mol. Its IUPAC name is 5-[(5-ethyl-2-methylmorpholin-4-yl)methyl]-N-methyl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-[(5-ethyl-2-methylmorpholin-4-yl)methyl]-N-methyl-1,3,4-thiadiazol-2-amine
PubChem CID80606107
Molecular FormulaC11H20N4OS
Molecular Weight256.37 g/mol
Exact Mass256.14
IUPAC Name5-[(5-ethyl-2-methylmorpholin-4-yl)methyl]-N-methyl-1,3,4-thiadiazol-2-amine
SMILESCCC1COC(C)CN1Cc1nnc(NC)s1
InChIInChI=1S/C11H20N4OS/c1-4-9-7-16-8(2)5-15(9)6-10-13-14-11(12-3)17-10/h8-9H,4-7H2,1-3H3,(H,12,14)
InChIKeyQLWXOZJJIWPQDC-UHFFFAOYSA-N
XLogP1.58
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.37
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[(5-ethyl-2-methylmorpholin-4-yl)methyl]-N-methyl-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-[(5-ethyl-2-methylmorpholin-4-yl)methyl]-N-methyl-1,3,4-thiadiazol-2-amine (CID 80606107) is 5-[(5-ethyl-2-methylmorpholin-4-yl)methyl]-N-methyl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-[(5-ethyl-2-methylmorpholin-4-yl)methyl]-N-methyl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-[(5-ethyl-2-methylmorpholin-4-yl)methyl]-N-methyl-1,3,4-thiadiazol-2-amine is CCC1COC(C)CN1Cc1nnc(NC)s1.
What is the InChIKey of 5-[(5-ethyl-2-methylmorpholin-4-yl)methyl]-N-methyl-1,3,4-thiadiazol-2-amine?
The InChIKey is QLWXOZJJIWPQDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4OS/c1-4-9-7-16-8(2)5-15(9)6-10-13-14-11(12-3)17-10/h8-9H,4-7H2,1-3H3,(H,12,14).
What are the key properties of 5-[(5-ethyl-2-methylmorpholin-4-yl)methyl]-N-methyl-1,3,4-thiadiazol-2-amine?
5-[(5-ethyl-2-methylmorpholin-4-yl)methyl]-N-methyl-1,3,4-thiadiazol-2-amine has a molecular weight of 256.37 g/mol, XLogP of 1.58, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-ethyl-2-methylmorpholin-4-yl)methyl]-N-methyl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 80606107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).