2-(5H-imidazo[5,1-a]isoindol-5-yl)-1-(1,3-thiazol-4-yl)ethanol

C15H13N3OS — CID 66558466

IUPAC2-(5H-imidazo[5,1-a]isoindol-5-yl)-1-(1,3-thiazol-4-yl)ethanol
SMILESOC(CC1c2ccccc2-c2cncn21)c1cscn1
InChIInChI=1S/C15H13N3OS/c19-15(12-7-20-9-17-12)5-13-10-3-1-2-4-11(10)14-6-16-8-18(13)14/h1-4,6-9,13,15,19H,5H2
InChIKeyVBGYBTPGGDXLMD-UHFFFAOYSA-N
MW283.36 g/mol
LogP3.03
Rot. Bonds3

About 2-(5H-imidazo[5,1-a]isoindol-5-yl)-1-(1,3-thiazol-4-yl)ethanol

2-(5H-imidazo[5,1-a]isoindol-5-yl)-1-(1,3-thiazol-4-yl)ethanol (PubChem CID 66558466) has the molecular formula C15H13N3OS and a molecular weight of 283.36 g/mol. Its IUPAC name is 2-(5H-imidazo[5,1-a]isoindol-5-yl)-1-(1,3-thiazol-4-yl)ethanol.

Molecular Properties

Compound Name2-(5H-imidazo[5,1-a]isoindol-5-yl)-1-(1,3-thiazol-4-yl)ethanol
PubChem CID66558466
Molecular FormulaC15H13N3OS
Molecular Weight283.36 g/mol
Exact Mass283.08
IUPAC Name2-(5H-imidazo[5,1-a]isoindol-5-yl)-1-(1,3-thiazol-4-yl)ethanol
SMILESOC(CC1c2ccccc2-c2cncn21)c1cscn1
InChIInChI=1S/C15H13N3OS/c19-15(12-7-20-9-17-12)5-13-10-3-1-2-4-11(10)14-6-16-8-18(13)14/h1-4,6-9,13,15,19H,5H2
InChIKeyVBGYBTPGGDXLMD-UHFFFAOYSA-N
XLogP3.03
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.36
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(5H-imidazo[5,1-a]isoindol-5-yl)-1-(1,3-thiazol-4-yl)ethanol?
The IUPAC name of 2-(5H-imidazo[5,1-a]isoindol-5-yl)-1-(1,3-thiazol-4-yl)ethanol (CID 66558466) is 2-(5H-imidazo[5,1-a]isoindol-5-yl)-1-(1,3-thiazol-4-yl)ethanol.
What is the SMILES notation for 2-(5H-imidazo[5,1-a]isoindol-5-yl)-1-(1,3-thiazol-4-yl)ethanol?
The canonical SMILES for 2-(5H-imidazo[5,1-a]isoindol-5-yl)-1-(1,3-thiazol-4-yl)ethanol is OC(CC1c2ccccc2-c2cncn21)c1cscn1.
What is the InChIKey of 2-(5H-imidazo[5,1-a]isoindol-5-yl)-1-(1,3-thiazol-4-yl)ethanol?
The InChIKey is VBGYBTPGGDXLMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3OS/c19-15(12-7-20-9-17-12)5-13-10-3-1-2-4-11(10)14-6-16-8-18(13)14/h1-4,6-9,13,15,19H,5H2.
What are the key properties of 2-(5H-imidazo[5,1-a]isoindol-5-yl)-1-(1,3-thiazol-4-yl)ethanol?
2-(5H-imidazo[5,1-a]isoindol-5-yl)-1-(1,3-thiazol-4-yl)ethanol has a molecular weight of 283.36 g/mol, XLogP of 3.03, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5H-imidazo[5,1-a]isoindol-5-yl)-1-(1,3-thiazol-4-yl)ethanol is sourced from PubChem (CID 66558466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).