2-[(E)-2-(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)ethenyl]quinolin-8-ol

C18H15N3OS — CID 17444944

IUPAC2-[(E)-2-(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)ethenyl]quinolin-8-ol
SMILESCc1cn2c(/C=C/c3ccc4cccc(O)c4n3)c(C)nc2s1
InChIInChI=1S/C18H15N3OS/c1-11-10-21-15(12(2)19-18(21)23-11)9-8-14-7-6-13-4-3-5-16(22)17(13)20-14/h3-10,22H,1-2H3/b9-8+
InChIKeyLDJUDSQDQUAIJR-CMDGGOBGSA-N
MW321.41 g/mol
LogP4.44
Rot. Bonds2

About 2-[(E)-2-(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)ethenyl]quinolin-8-ol

2-[(E)-2-(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)ethenyl]quinolin-8-ol (PubChem CID 17444944) has the molecular formula C18H15N3OS and a molecular weight of 321.41 g/mol. Its IUPAC name is 2-[(E)-2-(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)ethenyl]quinolin-8-ol.

Molecular Properties

Compound Name2-[(E)-2-(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)ethenyl]quinolin-8-ol
PubChem CID17444944
Molecular FormulaC18H15N3OS
Molecular Weight321.41 g/mol
Exact Mass321.09
IUPAC Name2-[(E)-2-(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)ethenyl]quinolin-8-ol
SMILESCc1cn2c(/C=C/c3ccc4cccc(O)c4n3)c(C)nc2s1
InChIInChI=1S/C18H15N3OS/c1-11-10-21-15(12(2)19-18(21)23-11)9-8-14-7-6-13-4-3-5-16(22)17(13)20-14/h3-10,22H,1-2H3/b9-8+
InChIKeyLDJUDSQDQUAIJR-CMDGGOBGSA-N
XLogP4.44
TPSA50.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.41
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)ethenyl]quinolin-8-ol?
The IUPAC name of 2-[(E)-2-(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)ethenyl]quinolin-8-ol (CID 17444944) is 2-[(E)-2-(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)ethenyl]quinolin-8-ol.
What is the SMILES notation for 2-[(E)-2-(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)ethenyl]quinolin-8-ol?
The canonical SMILES for 2-[(E)-2-(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)ethenyl]quinolin-8-ol is Cc1cn2c(/C=C/c3ccc4cccc(O)c4n3)c(C)nc2s1.
What is the InChIKey of 2-[(E)-2-(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)ethenyl]quinolin-8-ol?
The InChIKey is LDJUDSQDQUAIJR-CMDGGOBGSA-N. The full InChI is InChI=1S/C18H15N3OS/c1-11-10-21-15(12(2)19-18(21)23-11)9-8-14-7-6-13-4-3-5-16(22)17(13)20-14/h3-10,22H,1-2H3/b9-8+.
What are the key properties of 2-[(E)-2-(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)ethenyl]quinolin-8-ol?
2-[(E)-2-(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)ethenyl]quinolin-8-ol has a molecular weight of 321.41 g/mol, XLogP of 4.44, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)ethenyl]quinolin-8-ol is sourced from PubChem (CID 17444944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).