3-ethyl-N-(1-morpholin-4-ylpropan-2-yl)-1,2,4-thiadiazol-5-amine

C11H20N4OS — CID 65276780

IUPAC3-ethyl-N-(1-morpholin-4-ylpropan-2-yl)-1,2,4-thiadiazol-5-amine
SMILESCCc1nsc(NC(C)CN2CCOCC2)n1
InChIInChI=1S/C11H20N4OS/c1-3-10-13-11(17-14-10)12-9(2)8-15-4-6-16-7-5-15/h9H,3-8H2,1-2H3,(H,12,13,14)
InChIKeyODZUOKBVWJHRDL-UHFFFAOYSA-N
MW256.37 g/mol
LogP1.23
Rot. Bonds5

About 3-ethyl-N-(1-morpholin-4-ylpropan-2-yl)-1,2,4-thiadiazol-5-amine

3-ethyl-N-(1-morpholin-4-ylpropan-2-yl)-1,2,4-thiadiazol-5-amine (PubChem CID 65276780) has the molecular formula C11H20N4OS and a molecular weight of 256.37 g/mol. Its IUPAC name is 3-ethyl-N-(1-morpholin-4-ylpropan-2-yl)-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound Name3-ethyl-N-(1-morpholin-4-ylpropan-2-yl)-1,2,4-thiadiazol-5-amine
PubChem CID65276780
Molecular FormulaC11H20N4OS
Molecular Weight256.37 g/mol
Exact Mass256.14
IUPAC Name3-ethyl-N-(1-morpholin-4-ylpropan-2-yl)-1,2,4-thiadiazol-5-amine
SMILESCCc1nsc(NC(C)CN2CCOCC2)n1
InChIInChI=1S/C11H20N4OS/c1-3-10-13-11(17-14-10)12-9(2)8-15-4-6-16-7-5-15/h9H,3-8H2,1-2H3,(H,12,13,14)
InChIKeyODZUOKBVWJHRDL-UHFFFAOYSA-N
XLogP1.23
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.37
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-Methyl-4-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)morpholine
CID 71861557
1-Morpholin-4-yl-3-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]propan-2-ol
CID 84591120
(3S)-4-(3-ethyl-1,2,4-thiadiazol-5-yl)-3-methylmorpholine
CID 97059887
3-methyl-N-(4-morpholin-4-ylbutyl)-1,2,4-thiadiazol-5-amine
CID 132380131
N-(2-morpholin-4-ylethyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 107304684
N-(3-morpholin-4-ylpropyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 107304700
N-(1-morpholin-4-ylpropan-2-yl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 107304840
N-(morpholin-3-ylmethyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 107305520
2-methoxy-N-[[1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperidin-2-yl]methyl]ethanamine
CID 107305956
N-[[4-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]morpholin-3-yl]methyl]ethanamine
CID 107305974
N-methyl-1-[4-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]morpholin-3-yl]methanamine
CID 107305975
N-[[4-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]morpholin-3-yl]methyl]propan-1-amine
CID 107305976

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-(1-morpholin-4-ylpropan-2-yl)-1,2,4-thiadiazol-5-amine?
The IUPAC name of 3-ethyl-N-(1-morpholin-4-ylpropan-2-yl)-1,2,4-thiadiazol-5-amine (CID 65276780) is 3-ethyl-N-(1-morpholin-4-ylpropan-2-yl)-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for 3-ethyl-N-(1-morpholin-4-ylpropan-2-yl)-1,2,4-thiadiazol-5-amine?
The canonical SMILES for 3-ethyl-N-(1-morpholin-4-ylpropan-2-yl)-1,2,4-thiadiazol-5-amine is CCc1nsc(NC(C)CN2CCOCC2)n1.
What is the InChIKey of 3-ethyl-N-(1-morpholin-4-ylpropan-2-yl)-1,2,4-thiadiazol-5-amine?
The InChIKey is ODZUOKBVWJHRDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4OS/c1-3-10-13-11(17-14-10)12-9(2)8-15-4-6-16-7-5-15/h9H,3-8H2,1-2H3,(H,12,13,14).
What are the key properties of 3-ethyl-N-(1-morpholin-4-ylpropan-2-yl)-1,2,4-thiadiazol-5-amine?
3-ethyl-N-(1-morpholin-4-ylpropan-2-yl)-1,2,4-thiadiazol-5-amine has a molecular weight of 256.37 g/mol, XLogP of 1.23, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-(1-morpholin-4-ylpropan-2-yl)-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 65276780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).