6-(2,4-dimethoxyphenyl)-2-ethylimidazo[2,1-b][1,3,4]thiadiazole

C14H15N3O2S — CID 107646364

IUPAC6-(2,4-dimethoxyphenyl)-2-ethylimidazo[2,1-b][1,3,4]thiadiazole
SMILESCCc1nn2cc(-c3ccc(OC)cc3OC)nc2s1
InChIInChI=1S/C14H15N3O2S/c1-4-13-16-17-8-11(15-14(17)20-13)10-6-5-9(18-2)7-12(10)19-3/h5-8H,4H2,1-3H3
InChIKeyBTPKNHMUEWHPMG-UHFFFAOYSA-N
MW289.36 g/mol
LogP3.04
Rot. Bonds4

About 6-(2,4-dimethoxyphenyl)-2-ethylimidazo[2,1-b][1,3,4]thiadiazole

6-(2,4-dimethoxyphenyl)-2-ethylimidazo[2,1-b][1,3,4]thiadiazole (PubChem CID 107646364) has the molecular formula C14H15N3O2S and a molecular weight of 289.36 g/mol. Its IUPAC name is 6-(2,4-dimethoxyphenyl)-2-ethylimidazo[2,1-b][1,3,4]thiadiazole.

Molecular Properties

Compound Name6-(2,4-dimethoxyphenyl)-2-ethylimidazo[2,1-b][1,3,4]thiadiazole
PubChem CID107646364
Molecular FormulaC14H15N3O2S
Molecular Weight289.36 g/mol
Exact Mass289.09
IUPAC Name6-(2,4-dimethoxyphenyl)-2-ethylimidazo[2,1-b][1,3,4]thiadiazole
SMILESCCc1nn2cc(-c3ccc(OC)cc3OC)nc2s1
InChIInChI=1S/C14H15N3O2S/c1-4-13-16-17-8-11(15-14(17)20-13)10-6-5-9(18-2)7-12(10)19-3/h5-8H,4H2,1-3H3
InChIKeyBTPKNHMUEWHPMG-UHFFFAOYSA-N
XLogP3.04
TPSA48.65 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.36
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-ethyl-6-(3-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole
CID 16644191
2-(methoxymethyl)-6-(2-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole
CID 19209536
[6-(4-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]methanamine;hydrochloride
CID 82020599
4-(2,4-dimethoxyphenyl)imidazole-1,2-diamine
CID 82290592
2-(2,4-dimethoxyphenyl)-6-methylimidazo[2,1-b][1,3]benzothiazole
CID 735306
6-(2-methoxy-5-methylphenyl)-2-(2-methylpropyl)imidazo[2,1-b][1,3,4]thiadiazole
CID 106260326
2-(2-ethylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-6-methoxy-1-benzofuran-4-ol
CID 130179568
6-(2,5-dimethoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole-2-sulfonamide
CID 10236847
2-butyl-6-(3-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole
CID 9122841
6-(4-bromophenyl)-2-ethylimidazo[2,1-b][1,3,4]thiadiazole
CID 703338
5-(2,4-dimethoxyphenyl)-2-ethyl-1,3-thiazole-4-carboxylic acid
CID 106510708
3-[6-(3-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]propan-1-amine
CID 28750683

Frequently Asked Questions

What is the IUPAC name of 6-(2,4-dimethoxyphenyl)-2-ethylimidazo[2,1-b][1,3,4]thiadiazole?
The IUPAC name of 6-(2,4-dimethoxyphenyl)-2-ethylimidazo[2,1-b][1,3,4]thiadiazole (CID 107646364) is 6-(2,4-dimethoxyphenyl)-2-ethylimidazo[2,1-b][1,3,4]thiadiazole.
What is the SMILES notation for 6-(2,4-dimethoxyphenyl)-2-ethylimidazo[2,1-b][1,3,4]thiadiazole?
The canonical SMILES for 6-(2,4-dimethoxyphenyl)-2-ethylimidazo[2,1-b][1,3,4]thiadiazole is CCc1nn2cc(-c3ccc(OC)cc3OC)nc2s1.
What is the InChIKey of 6-(2,4-dimethoxyphenyl)-2-ethylimidazo[2,1-b][1,3,4]thiadiazole?
The InChIKey is BTPKNHMUEWHPMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2S/c1-4-13-16-17-8-11(15-14(17)20-13)10-6-5-9(18-2)7-12(10)19-3/h5-8H,4H2,1-3H3.
What are the key properties of 6-(2,4-dimethoxyphenyl)-2-ethylimidazo[2,1-b][1,3,4]thiadiazole?
6-(2,4-dimethoxyphenyl)-2-ethylimidazo[2,1-b][1,3,4]thiadiazole has a molecular weight of 289.36 g/mol, XLogP of 3.04, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,4-dimethoxyphenyl)-2-ethylimidazo[2,1-b][1,3,4]thiadiazole is sourced from PubChem (CID 107646364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).