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

C16H10ClN3OS — CID 8827419

IUPAC2-[(E)-2-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)ethenyl]quinolin-8-ol
SMILESOc1cccc2ccc(/C=C/c3c(Cl)nc4sccn34)nc12
InChIInChI=1S/C16H10ClN3OS/c17-15-12(20-8-9-22-16(20)19-15)7-6-11-5-4-10-2-1-3-13(21)14(10)18-11/h1-9,21H/b7-6+
InChIKeyHNWAYVBCHQHDQN-VOTSOKGWSA-N
MW327.80 g/mol
LogP4.47
Rot. Bonds2

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

2-[(E)-2-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)ethenyl]quinolin-8-ol (PubChem CID 8827419) has the molecular formula C16H10ClN3OS and a molecular weight of 327.80 g/mol. Its IUPAC name is 2-[(E)-2-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)ethenyl]quinolin-8-ol.

Molecular Properties

Compound Name2-[(E)-2-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)ethenyl]quinolin-8-ol
PubChem CID8827419
Molecular FormulaC16H10ClN3OS
Molecular Weight327.80 g/mol
Exact Mass327.02
IUPAC Name2-[(E)-2-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)ethenyl]quinolin-8-ol
SMILESOc1cccc2ccc(/C=C/c3c(Cl)nc4sccn34)nc12
InChIInChI=1S/C16H10ClN3OS/c17-15-12(20-8-9-22-16(20)19-15)7-6-11-5-4-10-2-1-3-13(21)14(10)18-11/h1-9,21H/b7-6+
InChIKeyHNWAYVBCHQHDQN-VOTSOKGWSA-N
XLogP4.47
TPSA50.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.80
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)ethenyl]quinolin-8-ol?
The IUPAC name of 2-[(E)-2-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)ethenyl]quinolin-8-ol (CID 8827419) is 2-[(E)-2-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)ethenyl]quinolin-8-ol.
What is the SMILES notation for 2-[(E)-2-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)ethenyl]quinolin-8-ol?
The canonical SMILES for 2-[(E)-2-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)ethenyl]quinolin-8-ol is Oc1cccc2ccc(/C=C/c3c(Cl)nc4sccn34)nc12.
What is the InChIKey of 2-[(E)-2-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)ethenyl]quinolin-8-ol?
The InChIKey is HNWAYVBCHQHDQN-VOTSOKGWSA-N. The full InChI is InChI=1S/C16H10ClN3OS/c17-15-12(20-8-9-22-16(20)19-15)7-6-11-5-4-10-2-1-3-13(21)14(10)18-11/h1-9,21H/b7-6+.
What are the key properties of 2-[(E)-2-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)ethenyl]quinolin-8-ol?
2-[(E)-2-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)ethenyl]quinolin-8-ol has a molecular weight of 327.80 g/mol, XLogP of 4.47, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)ethenyl]quinolin-8-ol is sourced from PubChem (CID 8827419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).