5-(1-phenoxyethyl)-1,3,4-thiadiazol-2-amine

C10H11N3OS — CID 3135847

IUPAC5-(1-phenoxyethyl)-1,3,4-thiadiazol-2-amine
SMILESCC(Oc1ccccc1)c1nnc(N)s1
InChIInChI=1S/C10H11N3OS/c1-7(9-12-13-10(11)15-9)14-8-5-3-2-4-6-8/h2-7H,1H3,(H2,11,13)
InChIKeyOYNCXTKLAZBINA-UHFFFAOYSA-N
MW221.29 g/mol
LogP2.26
Rot. Bonds3

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

5-(1-phenoxyethyl)-1,3,4-thiadiazol-2-amine (PubChem CID 3135847) has the molecular formula C10H11N3OS and a molecular weight of 221.29 g/mol. Its IUPAC name is 5-(1-phenoxyethyl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-(1-phenoxyethyl)-1,3,4-thiadiazol-2-amine
PubChem CID3135847
Molecular FormulaC10H11N3OS
Molecular Weight221.29 g/mol
Exact Mass221.06
IUPAC Name5-(1-phenoxyethyl)-1,3,4-thiadiazol-2-amine
SMILESCC(Oc1ccccc1)c1nnc(N)s1
InChIInChI=1S/C10H11N3OS/c1-7(9-12-13-10(11)15-9)14-8-5-3-2-4-6-8/h2-7H,1H3,(H2,11,13)
InChIKeyOYNCXTKLAZBINA-UHFFFAOYSA-N
XLogP2.26
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.29
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(1-phenoxyethyl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-(1-phenoxyethyl)-1,3,4-thiadiazol-2-amine (CID 3135847) is 5-(1-phenoxyethyl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-(1-phenoxyethyl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-(1-phenoxyethyl)-1,3,4-thiadiazol-2-amine is CC(Oc1ccccc1)c1nnc(N)s1.
What is the InChIKey of 5-(1-phenoxyethyl)-1,3,4-thiadiazol-2-amine?
The InChIKey is OYNCXTKLAZBINA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3OS/c1-7(9-12-13-10(11)15-9)14-8-5-3-2-4-6-8/h2-7H,1H3,(H2,11,13).
What are the key properties of 5-(1-phenoxyethyl)-1,3,4-thiadiazol-2-amine?
5-(1-phenoxyethyl)-1,3,4-thiadiazol-2-amine has a molecular weight of 221.29 g/mol, XLogP of 2.26, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-phenoxyethyl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 3135847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).