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

C8H13N3OS — CID 65267945

IUPAC3-cyclopropyl-N-(2-methoxyethyl)-1,2,4-thiadiazol-5-amine
SMILESCOCCNc1nc(C2CC2)ns1
InChIInChI=1S/C8H13N3OS/c1-12-5-4-9-8-10-7(11-13-8)6-2-3-6/h6H,2-5H2,1H3,(H,9,10,11)
InChIKeyOZWOIBQBDUJDFG-UHFFFAOYSA-N
MW199.28 g/mol
LogP1.47
Rot. Bonds5

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

3-cyclopropyl-N-(2-methoxyethyl)-1,2,4-thiadiazol-5-amine (PubChem CID 65267945) has the molecular formula C8H13N3OS and a molecular weight of 199.28 g/mol. Its IUPAC name is 3-cyclopropyl-N-(2-methoxyethyl)-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound Name3-cyclopropyl-N-(2-methoxyethyl)-1,2,4-thiadiazol-5-amine
PubChem CID65267945
Molecular FormulaC8H13N3OS
Molecular Weight199.28 g/mol
Exact Mass199.08
IUPAC Name3-cyclopropyl-N-(2-methoxyethyl)-1,2,4-thiadiazol-5-amine
SMILESCOCCNc1nc(C2CC2)ns1
InChIInChI=1S/C8H13N3OS/c1-12-5-4-9-8-10-7(11-13-8)6-2-3-6/h6H,2-5H2,1H3,(H,9,10,11)
InChIKeyOZWOIBQBDUJDFG-UHFFFAOYSA-N
XLogP1.47
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.28
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 3-cyclopropyl-N-(2-methoxyethyl)-1,2,4-thiadiazol-5-amine?
The IUPAC name of 3-cyclopropyl-N-(2-methoxyethyl)-1,2,4-thiadiazol-5-amine (CID 65267945) is 3-cyclopropyl-N-(2-methoxyethyl)-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for 3-cyclopropyl-N-(2-methoxyethyl)-1,2,4-thiadiazol-5-amine?
The canonical SMILES for 3-cyclopropyl-N-(2-methoxyethyl)-1,2,4-thiadiazol-5-amine is COCCNc1nc(C2CC2)ns1.
What is the InChIKey of 3-cyclopropyl-N-(2-methoxyethyl)-1,2,4-thiadiazol-5-amine?
The InChIKey is OZWOIBQBDUJDFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3OS/c1-12-5-4-9-8-10-7(11-13-8)6-2-3-6/h6H,2-5H2,1H3,(H,9,10,11).
What are the key properties of 3-cyclopropyl-N-(2-methoxyethyl)-1,2,4-thiadiazol-5-amine?
3-cyclopropyl-N-(2-methoxyethyl)-1,2,4-thiadiazol-5-amine has a molecular weight of 199.28 g/mol, XLogP of 1.47, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-N-(2-methoxyethyl)-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 65267945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).