N-methyl-5-[(2,2,6-trimethylmorpholin-4-yl)methyl]-1,3,4-thiadiazol-2-amine

C11H20N4OS — CID 80606096

IUPACN-methyl-5-[(2,2,6-trimethylmorpholin-4-yl)methyl]-1,3,4-thiadiazol-2-amine
SMILESCNc1nnc(CN2CC(C)OC(C)(C)C2)s1
InChIInChI=1S/C11H20N4OS/c1-8-5-15(7-11(2,3)16-8)6-9-13-14-10(12-4)17-9/h8H,5-7H2,1-4H3,(H,12,14)
InChIKeyBKHLSOZPCKEEBF-UHFFFAOYSA-N
MW256.37 g/mol
LogP1.58
Rot. Bonds3

About N-methyl-5-[(2,2,6-trimethylmorpholin-4-yl)methyl]-1,3,4-thiadiazol-2-amine

N-methyl-5-[(2,2,6-trimethylmorpholin-4-yl)methyl]-1,3,4-thiadiazol-2-amine (PubChem CID 80606096) has the molecular formula C11H20N4OS and a molecular weight of 256.37 g/mol. Its IUPAC name is N-methyl-5-[(2,2,6-trimethylmorpholin-4-yl)methyl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-methyl-5-[(2,2,6-trimethylmorpholin-4-yl)methyl]-1,3,4-thiadiazol-2-amine
PubChem CID80606096
Molecular FormulaC11H20N4OS
Molecular Weight256.37 g/mol
Exact Mass256.14
IUPAC NameN-methyl-5-[(2,2,6-trimethylmorpholin-4-yl)methyl]-1,3,4-thiadiazol-2-amine
SMILESCNc1nnc(CN2CC(C)OC(C)(C)C2)s1
InChIInChI=1S/C11H20N4OS/c1-8-5-15(7-11(2,3)16-8)6-9-13-14-10(12-4)17-9/h8H,5-7H2,1-4H3,(H,12,14)
InChIKeyBKHLSOZPCKEEBF-UHFFFAOYSA-N
XLogP1.58
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
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 N-methyl-5-[(2,2,6-trimethylmorpholin-4-yl)methyl]-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-methyl-5-[(2,2,6-trimethylmorpholin-4-yl)methyl]-1,3,4-thiadiazol-2-amine (CID 80606096) is N-methyl-5-[(2,2,6-trimethylmorpholin-4-yl)methyl]-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-methyl-5-[(2,2,6-trimethylmorpholin-4-yl)methyl]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-methyl-5-[(2,2,6-trimethylmorpholin-4-yl)methyl]-1,3,4-thiadiazol-2-amine is CNc1nnc(CN2CC(C)OC(C)(C)C2)s1.
What is the InChIKey of N-methyl-5-[(2,2,6-trimethylmorpholin-4-yl)methyl]-1,3,4-thiadiazol-2-amine?
The InChIKey is BKHLSOZPCKEEBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4OS/c1-8-5-15(7-11(2,3)16-8)6-9-13-14-10(12-4)17-9/h8H,5-7H2,1-4H3,(H,12,14).
What are the key properties of N-methyl-5-[(2,2,6-trimethylmorpholin-4-yl)methyl]-1,3,4-thiadiazol-2-amine?
N-methyl-5-[(2,2,6-trimethylmorpholin-4-yl)methyl]-1,3,4-thiadiazol-2-amine has a molecular weight of 256.37 g/mol, XLogP of 1.58, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-[(2,2,6-trimethylmorpholin-4-yl)methyl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 80606096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).