2-(4-ethoxy-3,5-dimethoxyphenyl)-6-phenylimidazo[2,1-b][1,3,4]thiadiazole

C20H19N3O3S — CID 3068787

IUPAC2-(4-ethoxy-3,5-dimethoxyphenyl)-6-phenylimidazo[2,1-b][1,3,4]thiadiazole
SMILESCCOc1c(OC)cc(-c2nn3cc(-c4ccccc4)nc3s2)cc1OC
InChIInChI=1S/C20H19N3O3S/c1-4-26-18-16(24-2)10-14(11-17(18)25-3)19-22-23-12-15(21-20(23)27-19)13-8-6-5-7-9-13/h5-12H,4H2,1-3H3
InChIKeyZPRRVCSQUDCNCO-UHFFFAOYSA-N
MW381.46 g/mol
LogP4.54
Rot. Bonds6

About 2-(4-ethoxy-3,5-dimethoxyphenyl)-6-phenylimidazo[2,1-b][1,3,4]thiadiazole

2-(4-ethoxy-3,5-dimethoxyphenyl)-6-phenylimidazo[2,1-b][1,3,4]thiadiazole (PubChem CID 3068787) has the molecular formula C20H19N3O3S and a molecular weight of 381.46 g/mol. Its IUPAC name is 2-(4-ethoxy-3,5-dimethoxyphenyl)-6-phenylimidazo[2,1-b][1,3,4]thiadiazole.

Molecular Properties

Compound Name2-(4-ethoxy-3,5-dimethoxyphenyl)-6-phenylimidazo[2,1-b][1,3,4]thiadiazole
PubChem CID3068787
Molecular FormulaC20H19N3O3S
Molecular Weight381.46 g/mol
Exact Mass381.11
IUPAC Name2-(4-ethoxy-3,5-dimethoxyphenyl)-6-phenylimidazo[2,1-b][1,3,4]thiadiazole
SMILESCCOc1c(OC)cc(-c2nn3cc(-c4ccccc4)nc3s2)cc1OC
InChIInChI=1S/C20H19N3O3S/c1-4-26-18-16(24-2)10-14(11-17(18)25-3)19-22-23-12-15(21-20(23)27-19)13-8-6-5-7-9-13/h5-12H,4H2,1-3H3
InChIKeyZPRRVCSQUDCNCO-UHFFFAOYSA-N
XLogP4.54
TPSA57.88 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.46
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxy-3,5-dimethoxyphenyl)-6-phenylimidazo[2,1-b][1,3,4]thiadiazole?
The IUPAC name of 2-(4-ethoxy-3,5-dimethoxyphenyl)-6-phenylimidazo[2,1-b][1,3,4]thiadiazole (CID 3068787) is 2-(4-ethoxy-3,5-dimethoxyphenyl)-6-phenylimidazo[2,1-b][1,3,4]thiadiazole.
What is the SMILES notation for 2-(4-ethoxy-3,5-dimethoxyphenyl)-6-phenylimidazo[2,1-b][1,3,4]thiadiazole?
The canonical SMILES for 2-(4-ethoxy-3,5-dimethoxyphenyl)-6-phenylimidazo[2,1-b][1,3,4]thiadiazole is CCOc1c(OC)cc(-c2nn3cc(-c4ccccc4)nc3s2)cc1OC.
What is the InChIKey of 2-(4-ethoxy-3,5-dimethoxyphenyl)-6-phenylimidazo[2,1-b][1,3,4]thiadiazole?
The InChIKey is ZPRRVCSQUDCNCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O3S/c1-4-26-18-16(24-2)10-14(11-17(18)25-3)19-22-23-12-15(21-20(23)27-19)13-8-6-5-7-9-13/h5-12H,4H2,1-3H3.
What are the key properties of 2-(4-ethoxy-3,5-dimethoxyphenyl)-6-phenylimidazo[2,1-b][1,3,4]thiadiazole?
2-(4-ethoxy-3,5-dimethoxyphenyl)-6-phenylimidazo[2,1-b][1,3,4]thiadiazole has a molecular weight of 381.46 g/mol, XLogP of 4.54, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxy-3,5-dimethoxyphenyl)-6-phenylimidazo[2,1-b][1,3,4]thiadiazole is sourced from PubChem (CID 3068787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).