N-(2-methoxyethyl)-3-(4-propan-2-ylmorpholin-2-yl)-1,2,4-thiadiazol-5-amine

C12H22N4O2S — CID 79663860

IUPACN-(2-methoxyethyl)-3-(4-propan-2-ylmorpholin-2-yl)-1,2,4-thiadiazol-5-amine
SMILESCOCCNc1nc(C2CN(C(C)C)CCO2)ns1
InChIInChI=1S/C12H22N4O2S/c1-9(2)16-5-7-18-10(8-16)11-14-12(19-15-11)13-4-6-17-3/h9-10H,4-8H2,1-3H3,(H,13,14,15)
InChIKeyRJORHGNWMDYIRH-UHFFFAOYSA-N
MW286.40 g/mol
LogP1.38
Rot. Bonds6

About N-(2-methoxyethyl)-3-(4-propan-2-ylmorpholin-2-yl)-1,2,4-thiadiazol-5-amine

N-(2-methoxyethyl)-3-(4-propan-2-ylmorpholin-2-yl)-1,2,4-thiadiazol-5-amine (PubChem CID 79663860) has the molecular formula C12H22N4O2S and a molecular weight of 286.40 g/mol. Its IUPAC name is N-(2-methoxyethyl)-3-(4-propan-2-ylmorpholin-2-yl)-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-3-(4-propan-2-ylmorpholin-2-yl)-1,2,4-thiadiazol-5-amine
PubChem CID79663860
Molecular FormulaC12H22N4O2S
Molecular Weight286.40 g/mol
Exact Mass286.15
IUPAC NameN-(2-methoxyethyl)-3-(4-propan-2-ylmorpholin-2-yl)-1,2,4-thiadiazol-5-amine
SMILESCOCCNc1nc(C2CN(C(C)C)CCO2)ns1
InChIInChI=1S/C12H22N4O2S/c1-9(2)16-5-7-18-10(8-16)11-14-12(19-15-11)13-4-6-17-3/h9-10H,4-8H2,1-3H3,(H,13,14,15)
InChIKeyRJORHGNWMDYIRH-UHFFFAOYSA-N
XLogP1.38
TPSA59.51 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-tert-butyl-3-(4-propan-2-ylmorpholin-2-yl)-1,2,4-thiadiazol-5-amine
CID 79663370
2-methoxy-N-[[2-(4-propan-2-ylmorpholin-2-yl)pyrimidin-4-yl]methyl]ethanamine
CID 79663141
N-(2-methoxyethyl)-3-(oxan-4-yl)-1,2,4-thiadiazol-5-amine
CID 65334797
N-ethyl-3-(4-ethylmorpholin-2-yl)-1,2,4-thiadiazol-5-amine
CID 79669066
N-ethyl-6-(methoxymethyl)-2-(4-propan-2-ylmorpholin-2-yl)pyrimidin-4-amine
CID 79662651
N-ethyl-2-(4-propan-2-ylmorpholin-2-yl)pyrimidin-4-amine
CID 79663349
3-(2-bicyclo[2.2.1]heptanyl)-N-(2-methoxyethyl)-1,2,4-thiadiazol-5-amine
CID 113383643
[4-(methoxymethyl)-2-(4-propan-2-ylmorpholin-2-yl)-1,3-thiazol-5-yl]methanamine
CID 114361692
2-[3-(4-propan-2-ylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 79798084
2-(4,6-dichloro-5-propan-2-ylpyrimidin-2-yl)-4-propan-2-ylmorpholine
CID 79657822
N-propan-2-yl-3-[3-(4-propan-2-ylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 79664896
2-methyl-4-[3-(4-propan-2-ylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 79657510

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-3-(4-propan-2-ylmorpholin-2-yl)-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-(2-methoxyethyl)-3-(4-propan-2-ylmorpholin-2-yl)-1,2,4-thiadiazol-5-amine (CID 79663860) is N-(2-methoxyethyl)-3-(4-propan-2-ylmorpholin-2-yl)-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-(2-methoxyethyl)-3-(4-propan-2-ylmorpholin-2-yl)-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-(2-methoxyethyl)-3-(4-propan-2-ylmorpholin-2-yl)-1,2,4-thiadiazol-5-amine is COCCNc1nc(C2CN(C(C)C)CCO2)ns1.
What is the InChIKey of N-(2-methoxyethyl)-3-(4-propan-2-ylmorpholin-2-yl)-1,2,4-thiadiazol-5-amine?
The InChIKey is RJORHGNWMDYIRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O2S/c1-9(2)16-5-7-18-10(8-16)11-14-12(19-15-11)13-4-6-17-3/h9-10H,4-8H2,1-3H3,(H,13,14,15).
What are the key properties of N-(2-methoxyethyl)-3-(4-propan-2-ylmorpholin-2-yl)-1,2,4-thiadiazol-5-amine?
N-(2-methoxyethyl)-3-(4-propan-2-ylmorpholin-2-yl)-1,2,4-thiadiazol-5-amine has a molecular weight of 286.40 g/mol, XLogP of 1.38, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-3-(4-propan-2-ylmorpholin-2-yl)-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 79663860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).