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

C10H17N3O2S — CID 104705508

IUPAC3-ethyl-N-[(3-methoxyoxolan-3-yl)methyl]-1,2,4-thiadiazol-5-amine
SMILESCCc1nsc(NCC2(OC)CCOC2)n1
InChIInChI=1S/C10H17N3O2S/c1-3-8-12-9(16-13-8)11-6-10(14-2)4-5-15-7-10/h3-7H2,1-2H3,(H,11,12,13)
InChIKeyPSMHIZPRZMCILS-UHFFFAOYSA-N
MW243.33 g/mol
LogP1.32
Rot. Bonds5

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

3-ethyl-N-[(3-methoxyoxolan-3-yl)methyl]-1,2,4-thiadiazol-5-amine (PubChem CID 104705508) has the molecular formula C10H17N3O2S and a molecular weight of 243.33 g/mol. Its IUPAC name is 3-ethyl-N-[(3-methoxyoxolan-3-yl)methyl]-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound Name3-ethyl-N-[(3-methoxyoxolan-3-yl)methyl]-1,2,4-thiadiazol-5-amine
PubChem CID104705508
Molecular FormulaC10H17N3O2S
Molecular Weight243.33 g/mol
Exact Mass243.10
IUPAC Name3-ethyl-N-[(3-methoxyoxolan-3-yl)methyl]-1,2,4-thiadiazol-5-amine
SMILESCCc1nsc(NCC2(OC)CCOC2)n1
InChIInChI=1S/C10H17N3O2S/c1-3-8-12-9(16-13-8)11-6-10(14-2)4-5-15-7-10/h3-7H2,1-2H3,(H,11,12,13)
InChIKeyPSMHIZPRZMCILS-UHFFFAOYSA-N
XLogP1.32
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.33
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-[(3-methoxyoxolan-3-yl)methyl]-1,2,4-thiadiazol-5-amine?
The IUPAC name of 3-ethyl-N-[(3-methoxyoxolan-3-yl)methyl]-1,2,4-thiadiazol-5-amine (CID 104705508) is 3-ethyl-N-[(3-methoxyoxolan-3-yl)methyl]-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for 3-ethyl-N-[(3-methoxyoxolan-3-yl)methyl]-1,2,4-thiadiazol-5-amine?
The canonical SMILES for 3-ethyl-N-[(3-methoxyoxolan-3-yl)methyl]-1,2,4-thiadiazol-5-amine is CCc1nsc(NCC2(OC)CCOC2)n1.
What is the InChIKey of 3-ethyl-N-[(3-methoxyoxolan-3-yl)methyl]-1,2,4-thiadiazol-5-amine?
The InChIKey is PSMHIZPRZMCILS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2S/c1-3-8-12-9(16-13-8)11-6-10(14-2)4-5-15-7-10/h3-7H2,1-2H3,(H,11,12,13).
What are the key properties of 3-ethyl-N-[(3-methoxyoxolan-3-yl)methyl]-1,2,4-thiadiazol-5-amine?
3-ethyl-N-[(3-methoxyoxolan-3-yl)methyl]-1,2,4-thiadiazol-5-amine has a molecular weight of 243.33 g/mol, XLogP of 1.32, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-[(3-methoxyoxolan-3-yl)methyl]-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 104705508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).