[5-(3-ethoxyphenoxy)-1,3,4-thiadiazol-2-yl]methanamine

C11H13N3O2S — CID 80620950

IUPAC[5-(3-ethoxyphenoxy)-1,3,4-thiadiazol-2-yl]methanamine
SMILESCCOc1cccc(Oc2nnc(CN)s2)c1
InChIInChI=1S/C11H13N3O2S/c1-2-15-8-4-3-5-9(6-8)16-11-14-13-10(7-12)17-11/h3-6H,2,7,12H2,1H3
InChIKeyJTPJXVAFWZCYLR-UHFFFAOYSA-N
MW251.31 g/mol
LogP2.19
Rot. Bonds5

About [5-(3-ethoxyphenoxy)-1,3,4-thiadiazol-2-yl]methanamine

[5-(3-ethoxyphenoxy)-1,3,4-thiadiazol-2-yl]methanamine (PubChem CID 80620950) has the molecular formula C11H13N3O2S and a molecular weight of 251.31 g/mol. Its IUPAC name is [5-(3-ethoxyphenoxy)-1,3,4-thiadiazol-2-yl]methanamine.

Molecular Properties

Compound Name[5-(3-ethoxyphenoxy)-1,3,4-thiadiazol-2-yl]methanamine
PubChem CID80620950
Molecular FormulaC11H13N3O2S
Molecular Weight251.31 g/mol
Exact Mass251.07
IUPAC Name[5-(3-ethoxyphenoxy)-1,3,4-thiadiazol-2-yl]methanamine
SMILESCCOc1cccc(Oc2nnc(CN)s2)c1
InChIInChI=1S/C11H13N3O2S/c1-2-15-8-4-3-5-9(6-8)16-11-14-13-10(7-12)17-11/h3-6H,2,7,12H2,1H3
InChIKeyJTPJXVAFWZCYLR-UHFFFAOYSA-N
XLogP2.19
TPSA70.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.31
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(chloromethyl)-5-(4-ethoxyphenoxy)-1,3,4-thiadiazole
CID 80618575
[5-(4-chloro-3-methylphenoxy)-1,3,4-thiadiazol-2-yl]methanamine
CID 80624779
[5-(4-bromo-3-methylphenoxy)-1,3,4-thiadiazol-2-yl]methanamine
CID 83134197
N-[[5-(3-methoxyphenoxy)-1,3,4-thiadiazol-2-yl]methyl]-2-methylpropan-2-amine
CID 80624786
[5-(3-chlorophenoxy)-1,3,4-thiadiazol-2-yl]methanol
CID 80619716
[5-(3-ethoxyphenoxy)-3-pyridinyl]methanamine
CID 113469599
[5-(4-benzylphenoxy)-1,3,4-thiadiazol-2-yl]methanamine
CID 80619261
N-[[5-(3-methoxyphenoxy)-1,3,4-thiadiazol-2-yl]methyl]propan-2-amine
CID 80623316
2-(3-tert-butylphenoxy)-5-(chloromethyl)-1,3,4-thiadiazole
CID 80618992
N-[[5-(3-iodophenoxy)-1,3,4-thiadiazol-2-yl]methyl]propan-1-amine
CID 80620568
N-[[5-(3-tert-butylphenoxy)-1,3,4-thiadiazol-2-yl]methyl]ethanamine
CID 80620300
2-(3-ethoxyphenoxy)pyrimidin-5-amine
CID 55060800

Frequently Asked Questions

What is the IUPAC name of [5-(3-ethoxyphenoxy)-1,3,4-thiadiazol-2-yl]methanamine?
The IUPAC name of [5-(3-ethoxyphenoxy)-1,3,4-thiadiazol-2-yl]methanamine (CID 80620950) is [5-(3-ethoxyphenoxy)-1,3,4-thiadiazol-2-yl]methanamine.
What is the SMILES notation for [5-(3-ethoxyphenoxy)-1,3,4-thiadiazol-2-yl]methanamine?
The canonical SMILES for [5-(3-ethoxyphenoxy)-1,3,4-thiadiazol-2-yl]methanamine is CCOc1cccc(Oc2nnc(CN)s2)c1.
What is the InChIKey of [5-(3-ethoxyphenoxy)-1,3,4-thiadiazol-2-yl]methanamine?
The InChIKey is JTPJXVAFWZCYLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2S/c1-2-15-8-4-3-5-9(6-8)16-11-14-13-10(7-12)17-11/h3-6H,2,7,12H2,1H3.
What are the key properties of [5-(3-ethoxyphenoxy)-1,3,4-thiadiazol-2-yl]methanamine?
[5-(3-ethoxyphenoxy)-1,3,4-thiadiazol-2-yl]methanamine has a molecular weight of 251.31 g/mol, XLogP of 2.19, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(3-ethoxyphenoxy)-1,3,4-thiadiazol-2-yl]methanamine is sourced from PubChem (CID 80620950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).