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

C10H17N3O2S — CID 65334797

IUPACN-(2-methoxyethyl)-3-(oxan-4-yl)-1,2,4-thiadiazol-5-amine
SMILESCOCCNc1nc(C2CCOCC2)ns1
InChIInChI=1S/C10H17N3O2S/c1-14-7-4-11-10-12-9(13-16-10)8-2-5-15-6-3-8/h8H,2-7H2,1H3,(H,11,12,13)
InChIKeyVMOXBOBWFALJBX-UHFFFAOYSA-N
MW243.33 g/mol
LogP1.49
Rot. Bonds5

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

N-(2-methoxyethyl)-3-(oxan-4-yl)-1,2,4-thiadiazol-5-amine (PubChem CID 65334797) has the molecular formula C10H17N3O2S and a molecular weight of 243.33 g/mol. Its IUPAC name is N-(2-methoxyethyl)-3-(oxan-4-yl)-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-3-(oxan-4-yl)-1,2,4-thiadiazol-5-amine
PubChem CID65334797
Molecular FormulaC10H17N3O2S
Molecular Weight243.33 g/mol
Exact Mass243.10
IUPAC NameN-(2-methoxyethyl)-3-(oxan-4-yl)-1,2,4-thiadiazol-5-amine
SMILESCOCCNc1nc(C2CCOCC2)ns1
InChIInChI=1S/C10H17N3O2S/c1-14-7-4-11-10-12-9(13-16-10)8-2-5-15-6-3-8/h8H,2-7H2,1H3,(H,11,12,13)
InChIKeyVMOXBOBWFALJBX-UHFFFAOYSA-N
XLogP1.49
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 ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-3-(oxan-4-yl)-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-(2-methoxyethyl)-3-(oxan-4-yl)-1,2,4-thiadiazol-5-amine (CID 65334797) is N-(2-methoxyethyl)-3-(oxan-4-yl)-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-(2-methoxyethyl)-3-(oxan-4-yl)-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-(2-methoxyethyl)-3-(oxan-4-yl)-1,2,4-thiadiazol-5-amine is COCCNc1nc(C2CCOCC2)ns1.
What is the InChIKey of N-(2-methoxyethyl)-3-(oxan-4-yl)-1,2,4-thiadiazol-5-amine?
The InChIKey is VMOXBOBWFALJBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2S/c1-14-7-4-11-10-12-9(13-16-10)8-2-5-15-6-3-8/h8H,2-7H2,1H3,(H,11,12,13).
What are the key properties of N-(2-methoxyethyl)-3-(oxan-4-yl)-1,2,4-thiadiazol-5-amine?
N-(2-methoxyethyl)-3-(oxan-4-yl)-1,2,4-thiadiazol-5-amine has a molecular weight of 243.33 g/mol, XLogP of 1.49, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-3-(oxan-4-yl)-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 65334797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).