2-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)-1-(1,3-thiazol-2-yl)ethanol

C15H12FN3OS — CID 66559047

IUPAC2-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)-1-(1,3-thiazol-2-yl)ethanol
SMILESOC(CC1c2c(F)cccc2-c2cncn21)c1nccs1
InChIInChI=1S/C15H12FN3OS/c16-10-3-1-2-9-12-7-17-8-19(12)11(14(9)10)6-13(20)15-18-4-5-21-15/h1-5,7-8,11,13,20H,6H2
InChIKeyINSWVLVOFHQFIC-UHFFFAOYSA-N
MW301.35 g/mol
LogP3.17
Rot. Bonds3

About 2-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)-1-(1,3-thiazol-2-yl)ethanol

2-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)-1-(1,3-thiazol-2-yl)ethanol (PubChem CID 66559047) has the molecular formula C15H12FN3OS and a molecular weight of 301.35 g/mol. Its IUPAC name is 2-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)-1-(1,3-thiazol-2-yl)ethanol.

Molecular Properties

Compound Name2-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)-1-(1,3-thiazol-2-yl)ethanol
PubChem CID66559047
Molecular FormulaC15H12FN3OS
Molecular Weight301.35 g/mol
Exact Mass301.07
IUPAC Name2-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)-1-(1,3-thiazol-2-yl)ethanol
SMILESOC(CC1c2c(F)cccc2-c2cncn21)c1nccs1
InChIInChI=1S/C15H12FN3OS/c16-10-3-1-2-9-12-7-17-8-19(12)11(14(9)10)6-13(20)15-18-4-5-21-15/h1-5,7-8,11,13,20H,6H2
InChIKeyINSWVLVOFHQFIC-UHFFFAOYSA-N
XLogP3.17
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)-1-(1,3-thiazol-2-yl)ethanol with MolForge

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Related Compounds

US10233190, Example 1391
CID 70874895
CID 130360286
CID 130360286
(1S)-1-[(5aR,6S)-1-(4-fluorophenyl)-5a-methyl-6,7,8,9-tetrahydro-5H-imidazo[1,5-b]isoquinolin-6-yl]-1-(1,3-thiazol-2-yl)ethanol
CID 45486464
2-[4-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)piperidin-1-yl]-1,3-thiazole
CID 155515098
US10233190, Example 1409
CID 70874209
US10233190, Example 1394
CID 70914330
alpha-(2-Phenylethyl)-imidazo[2,1-b]benzothiazole-3-methanol
CID 467112
7-Fluoro-alpha-(2-phenylethyl) imidazo[2,1-b]benzothiazole-3-methanol
CID 467114
(6-Phenylimidazo[2,1-b][1,3]thiazol-5-yl)methanol
CID 332988
US10233190, Example 1390
CID 66558466
1-Cyclohexyl-2-(9-thia-4,6-diazatricyclo[6.3.0.02,6]undeca-1(8),2,4,10-tetraen-7-yl)ethanol
CID 130361031
4-[1-hydroxy-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl]-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidine-1-carboxamide
CID 89052977

Frequently Asked Questions

What is the IUPAC name of 2-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)-1-(1,3-thiazol-2-yl)ethanol?
The IUPAC name of 2-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)-1-(1,3-thiazol-2-yl)ethanol (CID 66559047) is 2-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)-1-(1,3-thiazol-2-yl)ethanol.
What is the SMILES notation for 2-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)-1-(1,3-thiazol-2-yl)ethanol?
The canonical SMILES for 2-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)-1-(1,3-thiazol-2-yl)ethanol is OC(CC1c2c(F)cccc2-c2cncn21)c1nccs1.
What is the InChIKey of 2-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)-1-(1,3-thiazol-2-yl)ethanol?
The InChIKey is INSWVLVOFHQFIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FN3OS/c16-10-3-1-2-9-12-7-17-8-19(12)11(14(9)10)6-13(20)15-18-4-5-21-15/h1-5,7-8,11,13,20H,6H2.
What are the key properties of 2-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)-1-(1,3-thiazol-2-yl)ethanol?
2-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)-1-(1,3-thiazol-2-yl)ethanol has a molecular weight of 301.35 g/mol, XLogP of 3.17, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)-1-(1,3-thiazol-2-yl)ethanol is sourced from PubChem (CID 66559047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).