2-(3-ethoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-6-amine

C12H12N4OS — CID 82484613

IUPAC2-(3-ethoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-6-amine
SMILESCCOc1cccc(-c2nn3cc(N)nc3s2)c1
InChIInChI=1S/C12H12N4OS/c1-2-17-9-5-3-4-8(6-9)11-15-16-7-10(13)14-12(16)18-11/h3-7H,2,13H2,1H3
InChIKeyLUNYCRHIIHUQMK-UHFFFAOYSA-N
MW260.32 g/mol
LogP2.44
Rot. Bonds3

About 2-(3-ethoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-6-amine

2-(3-ethoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-6-amine (PubChem CID 82484613) has the molecular formula C12H12N4OS and a molecular weight of 260.32 g/mol. Its IUPAC name is 2-(3-ethoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-6-amine.

Molecular Properties

Compound Name2-(3-ethoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-6-amine
PubChem CID82484613
Molecular FormulaC12H12N4OS
Molecular Weight260.32 g/mol
Exact Mass260.07
IUPAC Name2-(3-ethoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-6-amine
SMILESCCOc1cccc(-c2nn3cc(N)nc3s2)c1
InChIInChI=1S/C12H12N4OS/c1-2-17-9-5-3-4-8(6-9)11-15-16-7-10(13)14-12(16)18-11/h3-7H,2,13H2,1H3
InChIKeyLUNYCRHIIHUQMK-UHFFFAOYSA-N
XLogP2.44
TPSA65.44 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.32
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[2-(3-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-6-yl]ethanamine
CID 28808717
2-(3-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole-6-carboxylic acid
CID 98018913
6-(3-ethoxyphenyl)-3-pyridin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 663031
4-(3-ethoxyphenyl)imidazole-1,5-diamine
CID 62482761
2-(3-ethoxyphenyl)aniline
CID 57482711
2-(3-ethoxyphenyl)-6-ethylpyrimidin-4-amine
CID 62192979
2-(3-ethoxyphenyl)-5-methylimidazo[1,2-a]pyridin-3-amine
CID 63617940
4-(bromomethyl)-2-(3-ethoxyphenyl)-1,3-thiazole
CID 82516061
3-(3-ethoxyphenyl)-6-methyl-[1,2,4]triazolo[4,3-a]pyridin-8-amine
CID 83965947
2-ethyl-6-(3-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole
CID 16644191
1-[2-(3-ethoxyphenyl)-1,3-thiazol-5-yl]-N-methylmethanamine
CID 61280554
6-(3-ethoxyphenyl)-3-(1-methylsulfonylpiperidin-4-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 131953324

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-6-amine?
The IUPAC name of 2-(3-ethoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-6-amine (CID 82484613) is 2-(3-ethoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-6-amine.
What is the SMILES notation for 2-(3-ethoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-6-amine?
The canonical SMILES for 2-(3-ethoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-6-amine is CCOc1cccc(-c2nn3cc(N)nc3s2)c1.
What is the InChIKey of 2-(3-ethoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-6-amine?
The InChIKey is LUNYCRHIIHUQMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4OS/c1-2-17-9-5-3-4-8(6-9)11-15-16-7-10(13)14-12(16)18-11/h3-7H,2,13H2,1H3.
What are the key properties of 2-(3-ethoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-6-amine?
2-(3-ethoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-6-amine has a molecular weight of 260.32 g/mol, XLogP of 2.44, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-6-amine is sourced from PubChem (CID 82484613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).