5-(2-ethyl-2-methoxybutoxy)-1,3,4-thiadiazol-2-amine

C9H17N3O2S — CID 175489312

IUPAC5-(2-ethyl-2-methoxybutoxy)-1,3,4-thiadiazol-2-amine
SMILESCCC(CC)(COc1nnc(N)s1)OC
InChIInChI=1S/C9H17N3O2S/c1-4-9(5-2,13-3)6-14-8-12-11-7(10)15-8/h4-6H2,1-3H3,(H2,10,11)
InChIKeyKACWBLZBKVFZOX-UHFFFAOYSA-N
MW231.32 g/mol
LogP1.70
Rot. Bonds6

About 5-(2-ethyl-2-methoxybutoxy)-1,3,4-thiadiazol-2-amine

5-(2-ethyl-2-methoxybutoxy)-1,3,4-thiadiazol-2-amine (PubChem CID 175489312) has the molecular formula C9H17N3O2S and a molecular weight of 231.32 g/mol. Its IUPAC name is 5-(2-ethyl-2-methoxybutoxy)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-(2-ethyl-2-methoxybutoxy)-1,3,4-thiadiazol-2-amine
PubChem CID175489312
Molecular FormulaC9H17N3O2S
Molecular Weight231.32 g/mol
Exact Mass231.10
IUPAC Name5-(2-ethyl-2-methoxybutoxy)-1,3,4-thiadiazol-2-amine
SMILESCCC(CC)(COc1nnc(N)s1)OC
InChIInChI=1S/C9H17N3O2S/c1-4-9(5-2,13-3)6-14-8-12-11-7(10)15-8/h4-6H2,1-3H3,(H2,10,11)
InChIKeyKACWBLZBKVFZOX-UHFFFAOYSA-N
XLogP1.70
TPSA70.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.32
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(2-ethyl-2-methoxybutoxy)-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-(2-ethyl-2-methoxybutoxy)-1,3,4-thiadiazol-2-amine (CID 175489312) is 5-(2-ethyl-2-methoxybutoxy)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-(2-ethyl-2-methoxybutoxy)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-(2-ethyl-2-methoxybutoxy)-1,3,4-thiadiazol-2-amine is CCC(CC)(COc1nnc(N)s1)OC.
What is the InChIKey of 5-(2-ethyl-2-methoxybutoxy)-1,3,4-thiadiazol-2-amine?
The InChIKey is KACWBLZBKVFZOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O2S/c1-4-9(5-2,13-3)6-14-8-12-11-7(10)15-8/h4-6H2,1-3H3,(H2,10,11).
What are the key properties of 5-(2-ethyl-2-methoxybutoxy)-1,3,4-thiadiazol-2-amine?
5-(2-ethyl-2-methoxybutoxy)-1,3,4-thiadiazol-2-amine has a molecular weight of 231.32 g/mol, XLogP of 1.70, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-ethyl-2-methoxybutoxy)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 175489312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).