3-(2-methoxyethyl)-N-(2-morpholin-4-ylethyl)-1,2,4-thiadiazol-5-amine

C11H20N4O2S — CID 133352124

IUPAC3-(2-methoxyethyl)-N-(2-morpholin-4-ylethyl)-1,2,4-thiadiazol-5-amine
SMILESCOCCc1nsc(NCCN2CCOCC2)n1
InChIInChI=1S/C11H20N4O2S/c1-16-7-2-10-13-11(18-14-10)12-3-4-15-5-8-17-9-6-15/h2-9H2,1H3,(H,12,13,14)
InChIKeyUGQOXMRFARNMBX-UHFFFAOYSA-N
MW272.37 g/mol
LogP0.47
Rot. Bonds7

About 3-(2-methoxyethyl)-N-(2-morpholin-4-ylethyl)-1,2,4-thiadiazol-5-amine

3-(2-methoxyethyl)-N-(2-morpholin-4-ylethyl)-1,2,4-thiadiazol-5-amine (PubChem CID 133352124) has the molecular formula C11H20N4O2S and a molecular weight of 272.37 g/mol. Its IUPAC name is 3-(2-methoxyethyl)-N-(2-morpholin-4-ylethyl)-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound Name3-(2-methoxyethyl)-N-(2-morpholin-4-ylethyl)-1,2,4-thiadiazol-5-amine
PubChem CID133352124
Molecular FormulaC11H20N4O2S
Molecular Weight272.37 g/mol
Exact Mass272.13
IUPAC Name3-(2-methoxyethyl)-N-(2-morpholin-4-ylethyl)-1,2,4-thiadiazol-5-amine
SMILESCOCCc1nsc(NCCN2CCOCC2)n1
InChIInChI=1S/C11H20N4O2S/c1-16-7-2-10-13-11(18-14-10)12-3-4-15-5-8-17-9-6-15/h2-9H2,1H3,(H,12,13,14)
InChIKeyUGQOXMRFARNMBX-UHFFFAOYSA-N
XLogP0.47
TPSA59.51 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[2-(4-methylpiperazin-1-yl)ethyl]-3-propyl-1,2,4-thiadiazol-5-amine
CID 65271465
3-(2-methoxyethyl)-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-1,2,4-thiadiazol-5-amine
CID 133335287
3-(2-methoxyethyl)-N-(2-thiophen-2-ylethyl)-1,2,4-thiadiazol-5-amine
CID 133358188
3-(2-methoxyethyl)-N-[2-(4-phenyltriazol-1-yl)ethyl]-1,2,4-thiadiazol-5-amine
CID 136574002
3-(2-methoxyethyl)-N-[(1-piperidin-1-ylcyclohexyl)methyl]-1,2,4-thiadiazol-5-amine
CID 133382254
N-[2-(azetidin-1-yl)ethyl]-3-methyl-1,2,4-thiadiazol-5-amine
CID 130743944
1-(3-methoxypropyl)-4-methyl-N-(2-morpholin-4-ylethyl)imidazol-2-amine
CID 106559331
5-(2-aminoethyl)-4-methyl-N-(2-morpholin-4-ylethyl)-1,3-thiazol-2-amine
CID 94696966
N-(2-methoxyethyl)-3-(2-phenylethyl)-1,2,4-thiadiazol-5-amine
CID 65267766
N-(2-methoxyethyl)-6-[6-(2-morpholin-4-ylethylamino)-3-pyridinyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine
CID 67221495
5-(2-morpholin-4-ylethylamino)-3H-1,3,4-thiadiazole-2-thione
CID 16767731
N-(2-morpholin-4-ylethyl)-4-(trifluoromethyl)-1,3-thiazol-2-amine
CID 133366070

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyethyl)-N-(2-morpholin-4-ylethyl)-1,2,4-thiadiazol-5-amine?
The IUPAC name of 3-(2-methoxyethyl)-N-(2-morpholin-4-ylethyl)-1,2,4-thiadiazol-5-amine (CID 133352124) is 3-(2-methoxyethyl)-N-(2-morpholin-4-ylethyl)-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for 3-(2-methoxyethyl)-N-(2-morpholin-4-ylethyl)-1,2,4-thiadiazol-5-amine?
The canonical SMILES for 3-(2-methoxyethyl)-N-(2-morpholin-4-ylethyl)-1,2,4-thiadiazol-5-amine is COCCc1nsc(NCCN2CCOCC2)n1.
What is the InChIKey of 3-(2-methoxyethyl)-N-(2-morpholin-4-ylethyl)-1,2,4-thiadiazol-5-amine?
The InChIKey is UGQOXMRFARNMBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O2S/c1-16-7-2-10-13-11(18-14-10)12-3-4-15-5-8-17-9-6-15/h2-9H2,1H3,(H,12,13,14).
What are the key properties of 3-(2-methoxyethyl)-N-(2-morpholin-4-ylethyl)-1,2,4-thiadiazol-5-amine?
3-(2-methoxyethyl)-N-(2-morpholin-4-ylethyl)-1,2,4-thiadiazol-5-amine has a molecular weight of 272.37 g/mol, XLogP of 0.47, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyethyl)-N-(2-morpholin-4-ylethyl)-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 133352124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).