6-(3-phenylmethoxyphenyl)-5-pyrimidin-4-ylimidazo[2,1-b][1,3]thiazole

C22H16N4OS — CID 164517434

IUPAC6-(3-phenylmethoxyphenyl)-5-pyrimidin-4-ylimidazo[2,1-b][1,3]thiazole
SMILESc1ccc(COc2cccc(-c3nc4sccn4c3-c3ccncn3)c2)cc1
InChIInChI=1S/C22H16N4OS/c1-2-5-16(6-3-1)14-27-18-8-4-7-17(13-18)20-21(19-9-10-23-15-24-19)26-11-12-28-22(26)25-20/h1-13,15H,14H2
InChIKeyGKFYUJHVBXYBEI-UHFFFAOYSA-N
MW384.46 g/mol
LogP5.10
Rot. Bonds5

About 6-(3-phenylmethoxyphenyl)-5-pyrimidin-4-ylimidazo[2,1-b][1,3]thiazole

6-(3-phenylmethoxyphenyl)-5-pyrimidin-4-ylimidazo[2,1-b][1,3]thiazole (PubChem CID 164517434) has the molecular formula C22H16N4OS and a molecular weight of 384.46 g/mol. Its IUPAC name is 6-(3-phenylmethoxyphenyl)-5-pyrimidin-4-ylimidazo[2,1-b][1,3]thiazole.

Molecular Properties

Compound Name6-(3-phenylmethoxyphenyl)-5-pyrimidin-4-ylimidazo[2,1-b][1,3]thiazole
PubChem CID164517434
Molecular FormulaC22H16N4OS
Molecular Weight384.46 g/mol
Exact Mass384.10
IUPAC Name6-(3-phenylmethoxyphenyl)-5-pyrimidin-4-ylimidazo[2,1-b][1,3]thiazole
SMILESc1ccc(COc2cccc(-c3nc4sccn4c3-c3ccncn3)c2)cc1
InChIInChI=1S/C22H16N4OS/c1-2-5-16(6-3-1)14-27-18-8-4-7-17(13-18)20-21(19-9-10-23-15-24-19)26-11-12-28-22(26)25-20/h1-13,15H,14H2
InChIKeyGKFYUJHVBXYBEI-UHFFFAOYSA-N
XLogP5.10
TPSA52.31 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.46
LogP ≤ 55.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(3-phenylmethoxyphenyl)-5-pyrimidin-4-ylimidazo[2,1-b][1,3]thiazole?
The IUPAC name of 6-(3-phenylmethoxyphenyl)-5-pyrimidin-4-ylimidazo[2,1-b][1,3]thiazole (CID 164517434) is 6-(3-phenylmethoxyphenyl)-5-pyrimidin-4-ylimidazo[2,1-b][1,3]thiazole.
What is the SMILES notation for 6-(3-phenylmethoxyphenyl)-5-pyrimidin-4-ylimidazo[2,1-b][1,3]thiazole?
The canonical SMILES for 6-(3-phenylmethoxyphenyl)-5-pyrimidin-4-ylimidazo[2,1-b][1,3]thiazole is c1ccc(COc2cccc(-c3nc4sccn4c3-c3ccncn3)c2)cc1.
What is the InChIKey of 6-(3-phenylmethoxyphenyl)-5-pyrimidin-4-ylimidazo[2,1-b][1,3]thiazole?
The InChIKey is GKFYUJHVBXYBEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16N4OS/c1-2-5-16(6-3-1)14-27-18-8-4-7-17(13-18)20-21(19-9-10-23-15-24-19)26-11-12-28-22(26)25-20/h1-13,15H,14H2.
What are the key properties of 6-(3-phenylmethoxyphenyl)-5-pyrimidin-4-ylimidazo[2,1-b][1,3]thiazole?
6-(3-phenylmethoxyphenyl)-5-pyrimidin-4-ylimidazo[2,1-b][1,3]thiazole has a molecular weight of 384.46 g/mol, XLogP of 5.10, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-phenylmethoxyphenyl)-5-pyrimidin-4-ylimidazo[2,1-b][1,3]thiazole is sourced from PubChem (CID 164517434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).