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

C12H22N4OS — CID 80606097

IUPACN-ethyl-5-[(2,2,6-trimethylmorpholin-4-yl)methyl]-1,3,4-thiadiazol-2-amine
SMILESCCNc1nnc(CN2CC(C)OC(C)(C)C2)s1
InChIInChI=1S/C12H22N4OS/c1-5-13-11-15-14-10(18-11)7-16-6-9(2)17-12(3,4)8-16/h9H,5-8H2,1-4H3,(H,13,15)
InChIKeyPCKRAOGJWWESOO-UHFFFAOYSA-N
MW270.40 g/mol
LogP1.97
Rot. Bonds4

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

N-ethyl-5-[(2,2,6-trimethylmorpholin-4-yl)methyl]-1,3,4-thiadiazol-2-amine (PubChem CID 80606097) has the molecular formula C12H22N4OS and a molecular weight of 270.40 g/mol. Its IUPAC name is N-ethyl-5-[(2,2,6-trimethylmorpholin-4-yl)methyl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-ethyl-5-[(2,2,6-trimethylmorpholin-4-yl)methyl]-1,3,4-thiadiazol-2-amine
PubChem CID80606097
Molecular FormulaC12H22N4OS
Molecular Weight270.40 g/mol
Exact Mass270.15
IUPAC NameN-ethyl-5-[(2,2,6-trimethylmorpholin-4-yl)methyl]-1,3,4-thiadiazol-2-amine
SMILESCCNc1nnc(CN2CC(C)OC(C)(C)C2)s1
InChIInChI=1S/C12H22N4OS/c1-5-13-11-15-14-10(18-11)7-16-6-9(2)17-12(3,4)8-16/h9H,5-8H2,1-4H3,(H,13,15)
InChIKeyPCKRAOGJWWESOO-UHFFFAOYSA-N
XLogP1.97
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.40
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-[(2,2,6-trimethylmorpholin-4-yl)methyl]-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-ethyl-5-[(2,2,6-trimethylmorpholin-4-yl)methyl]-1,3,4-thiadiazol-2-amine (CID 80606097) is N-ethyl-5-[(2,2,6-trimethylmorpholin-4-yl)methyl]-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-ethyl-5-[(2,2,6-trimethylmorpholin-4-yl)methyl]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-ethyl-5-[(2,2,6-trimethylmorpholin-4-yl)methyl]-1,3,4-thiadiazol-2-amine is CCNc1nnc(CN2CC(C)OC(C)(C)C2)s1.
What is the InChIKey of N-ethyl-5-[(2,2,6-trimethylmorpholin-4-yl)methyl]-1,3,4-thiadiazol-2-amine?
The InChIKey is PCKRAOGJWWESOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4OS/c1-5-13-11-15-14-10(18-11)7-16-6-9(2)17-12(3,4)8-16/h9H,5-8H2,1-4H3,(H,13,15).
What are the key properties of N-ethyl-5-[(2,2,6-trimethylmorpholin-4-yl)methyl]-1,3,4-thiadiazol-2-amine?
N-ethyl-5-[(2,2,6-trimethylmorpholin-4-yl)methyl]-1,3,4-thiadiazol-2-amine has a molecular weight of 270.40 g/mol, XLogP of 1.97, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-[(2,2,6-trimethylmorpholin-4-yl)methyl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 80606097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).