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

C12H11N3OS — CID 7539845

IUPAC6-(4-ethoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole
SMILESCCOc1ccc(-c2cn3ncsc3n2)cc1
InChIInChI=1S/C12H11N3OS/c1-2-16-10-5-3-9(4-6-10)11-7-15-12(14-11)17-8-13-15/h3-8H,2H2,1H3
InChIKeyXWLQYXJTDQDLAQ-UHFFFAOYSA-N
MW245.31 g/mol
LogP2.86
Rot. Bonds3

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

6-(4-ethoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole (PubChem CID 7539845) has the molecular formula C12H11N3OS and a molecular weight of 245.31 g/mol. Its IUPAC name is 6-(4-ethoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole.

Molecular Properties

Compound Name6-(4-ethoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole
PubChem CID7539845
Molecular FormulaC12H11N3OS
Molecular Weight245.31 g/mol
Exact Mass245.06
IUPAC Name6-(4-ethoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole
SMILESCCOc1ccc(-c2cn3ncsc3n2)cc1
InChIInChI=1S/C12H11N3OS/c1-2-16-10-5-3-9(4-6-10)11-7-15-12(14-11)17-8-13-15/h3-8H,2H2,1H3
InChIKeyXWLQYXJTDQDLAQ-UHFFFAOYSA-N
XLogP2.86
TPSA39.42 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.31
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-[4-(3,4-dimethylphenyl)phenyl]imidazo[2,1-b][1,3,4]thiadiazole
CID 69394635
2-butyl-6-(4-ethoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole
CID 16644204
6-(4-nitrophenyl)imidazo[2,1-b][1,3,4]thiadiazole
CID 2806480
6-thiophen-3-ylimidazo[2,1-b][1,3,4]thiadiazole
CID 107646816
6-(4-ethoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole-5-carbaldehyde
CID 39198119
ethyl 6-(4-ethoxyphenyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxylate
CID 19224535
2-[6-(4-ethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-methylacetamide
CID 40509194
6-(4-butoxyphenyl)imidazo[2,1-b][1,3]thiazole
CID 19224481
4-(4-ethoxyphenyl)-2-methoxy-1,3-thiazole
CID 116967744
2-[6-(4-ethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-ethyl-N-phenylacetamide
CID 121038352
6-chloro-2-(4-ethoxyphenyl)imidazo[1,2-a]pyridin-8-amine
CID 82059426
6-(4-ethoxyphenyl)-3-(trifluoromethyl)imidazo[2,1-b][1,3]thiazole-2-carboxylic acid
CID 82035586

Frequently Asked Questions

What is the IUPAC name of 6-(4-ethoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole?
The IUPAC name of 6-(4-ethoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole (CID 7539845) is 6-(4-ethoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole.
What is the SMILES notation for 6-(4-ethoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole?
The canonical SMILES for 6-(4-ethoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole is CCOc1ccc(-c2cn3ncsc3n2)cc1.
What is the InChIKey of 6-(4-ethoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole?
The InChIKey is XWLQYXJTDQDLAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3OS/c1-2-16-10-5-3-9(4-6-10)11-7-15-12(14-11)17-8-13-15/h3-8H,2H2,1H3.
What are the key properties of 6-(4-ethoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole?
6-(4-ethoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole has a molecular weight of 245.31 g/mol, XLogP of 2.86, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-ethoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole is sourced from PubChem (CID 7539845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).