3-tert-butyl-N-[(4-ethylmorpholin-2-yl)methyl]-1,2,4-thiadiazol-5-amine

C13H24N4OS — CID 114400497

IUPAC3-tert-butyl-N-[(4-ethylmorpholin-2-yl)methyl]-1,2,4-thiadiazol-5-amine
SMILESCCN1CCOC(CNc2nc(C(C)(C)C)ns2)C1
InChIInChI=1S/C13H24N4OS/c1-5-17-6-7-18-10(9-17)8-14-12-15-11(16-19-12)13(2,3)4/h10H,5-9H2,1-4H3,(H,14,15,16)
InChIKeyJQARPAUDZJRGHG-UHFFFAOYSA-N
MW284.43 g/mol
LogP1.97
Rot. Bonds4

About 3-tert-butyl-N-[(4-ethylmorpholin-2-yl)methyl]-1,2,4-thiadiazol-5-amine

3-tert-butyl-N-[(4-ethylmorpholin-2-yl)methyl]-1,2,4-thiadiazol-5-amine (PubChem CID 114400497) has the molecular formula C13H24N4OS and a molecular weight of 284.43 g/mol. Its IUPAC name is 3-tert-butyl-N-[(4-ethylmorpholin-2-yl)methyl]-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound Name3-tert-butyl-N-[(4-ethylmorpholin-2-yl)methyl]-1,2,4-thiadiazol-5-amine
PubChem CID114400497
Molecular FormulaC13H24N4OS
Molecular Weight284.43 g/mol
Exact Mass284.17
IUPAC Name3-tert-butyl-N-[(4-ethylmorpholin-2-yl)methyl]-1,2,4-thiadiazol-5-amine
SMILESCCN1CCOC(CNc2nc(C(C)(C)C)ns2)C1
InChIInChI=1S/C13H24N4OS/c1-5-17-6-7-18-10(9-17)8-14-12-15-11(16-19-12)13(2,3)4/h10H,5-9H2,1-4H3,(H,14,15,16)
InChIKeyJQARPAUDZJRGHG-UHFFFAOYSA-N
XLogP1.97
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.43
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(4-ethylmorpholin-2-yl)methyl]-4-methyl-1,3-thiazol-2-amine
CID 114400659
N-ethyl-3-(4-ethylmorpholin-2-yl)-1,2,4-thiadiazol-5-amine
CID 79669066
N-[(4-ethylmorpholin-2-yl)methyl]pyridin-4-amine
CID 114400660
4-chloro-N-[(4-ethylmorpholin-2-yl)methyl]-1,2,5-thiadiazol-3-amine
CID 114400988
N-[(4-ethylmorpholin-2-yl)methyl]-1-methylimidazol-2-amine
CID 114400676
N-[(4-ethylmorpholin-2-yl)methyl]-6-(trifluoromethyl)pyridin-2-amine
CID 115619054
N-[(4-ethylmorpholin-2-yl)methyl]-5-iodopyrimidin-2-amine
CID 113459925
N-[(4-ethylmorpholin-2-yl)methyl]-3,6-dimethylpyrazin-2-amine
CID 104695446
2-[(4-ethylmorpholin-2-yl)methylamino]-2-(hydroxymethyl)propane-1,3-diol
CID 114009171
2-[[(4-ethylmorpholin-2-yl)methylamino]methyl]-2-methylpropane-1,3-diol
CID 114399765
N-[(4-ethylmorpholin-2-yl)methyl]-1,2,4-benzotriazin-3-amine
CID 103204537
N-[[(2R)-4-ethylmorpholin-2-yl]methyl]quinoxalin-2-amine
CID 95319257

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-N-[(4-ethylmorpholin-2-yl)methyl]-1,2,4-thiadiazol-5-amine?
The IUPAC name of 3-tert-butyl-N-[(4-ethylmorpholin-2-yl)methyl]-1,2,4-thiadiazol-5-amine (CID 114400497) is 3-tert-butyl-N-[(4-ethylmorpholin-2-yl)methyl]-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for 3-tert-butyl-N-[(4-ethylmorpholin-2-yl)methyl]-1,2,4-thiadiazol-5-amine?
The canonical SMILES for 3-tert-butyl-N-[(4-ethylmorpholin-2-yl)methyl]-1,2,4-thiadiazol-5-amine is CCN1CCOC(CNc2nc(C(C)(C)C)ns2)C1.
What is the InChIKey of 3-tert-butyl-N-[(4-ethylmorpholin-2-yl)methyl]-1,2,4-thiadiazol-5-amine?
The InChIKey is JQARPAUDZJRGHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4OS/c1-5-17-6-7-18-10(9-17)8-14-12-15-11(16-19-12)13(2,3)4/h10H,5-9H2,1-4H3,(H,14,15,16).
What are the key properties of 3-tert-butyl-N-[(4-ethylmorpholin-2-yl)methyl]-1,2,4-thiadiazol-5-amine?
3-tert-butyl-N-[(4-ethylmorpholin-2-yl)methyl]-1,2,4-thiadiazol-5-amine has a molecular weight of 284.43 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 3-tert-butyl-N-[(4-ethylmorpholin-2-yl)methyl]-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 114400497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).