6-(5H-imidazo[5,1-a]isoindol-5-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol

C17H15N3OS — CID 129296378

IUPAC6-(5H-imidazo[5,1-a]isoindol-5-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol
SMILESOC1c2scnc2CCC1C1c2ccccc2-c2cncn21
InChIInChI=1S/C17H15N3OS/c21-16-12(5-6-13-17(16)22-9-19-13)15-11-4-2-1-3-10(11)14-7-18-8-20(14)15/h1-4,7-9,12,15-16,21H,5-6H2
InChIKeyNVKDZCHUMFNGQF-UHFFFAOYSA-N
MW309.39 g/mol
LogP3.21
Rot. Bonds1

About 6-(5H-imidazo[5,1-a]isoindol-5-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol

6-(5H-imidazo[5,1-a]isoindol-5-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol (PubChem CID 129296378) has the molecular formula C17H15N3OS and a molecular weight of 309.39 g/mol. Its IUPAC name is 6-(5H-imidazo[5,1-a]isoindol-5-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol.

Molecular Properties

Compound Name6-(5H-imidazo[5,1-a]isoindol-5-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol
PubChem CID129296378
Molecular FormulaC17H15N3OS
Molecular Weight309.39 g/mol
Exact Mass309.09
IUPAC Name6-(5H-imidazo[5,1-a]isoindol-5-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol
SMILESOC1c2scnc2CCC1C1c2ccccc2-c2cncn21
InChIInChI=1S/C17H15N3OS/c21-16-12(5-6-13-17(16)22-9-19-13)15-11-4-2-1-3-10(11)14-7-18-8-20(14)15/h1-4,7-9,12,15-16,21H,5-6H2
InChIKeyNVKDZCHUMFNGQF-UHFFFAOYSA-N
XLogP3.21
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.39
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-(5H-imidazo[5,1-a]isoindol-5-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol with MolForge

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Related Compounds

(5R)-6-(5H-imidazo[5,1-a]isoindol-5-yl)-5,6,7,8-tetrahydroquinoxalin-5-ol
CID 129296075
(5S,6S)-2-amino-6-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]-5,6,7,8-tetrahydroquinazolin-5-ol
CID 129282996
(1S,2S)-2-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]-1,2,3,4-tetrahydronaphthalen-1-ol
CID 129282975
(5R,6R)-5-hydroxy-6-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]-5,6,7,8-tetrahydroquinoline-2-carboxamide
CID 129283125
7-(5H-imidazo[5,1-a]isoindol-5-yl)-5,6,7,8-tetrahydroquinolin-8-ol
CID 129296165
(7R,8S)-7-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]-5,6,7,8-tetrahydroquinolin-8-ol
CID 129296780
(7R,8R)-7-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]-5,6,7,8-tetrahydroquinolin-8-ol
CID 129283070
(5S,6S)-6-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]-5,6,7,8-tetrahydroisoquinolin-5-ol
CID 129296383
(5S,6R)-6-(5H-imidazo[5,1-a]isoindol-5-yl)-5,6,7,8-tetrahydroisoquinolin-5-ol
CID 137405791
(7S,8R)-7-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]-5,6,7,8-tetrahydroisoquinolin-8-ol
CID 129283762
trans-(1R,2S)-2-(5H-imidazo[5,1-a]isoindol-5-yl)cyclobutan-1-ol
CID 137405919
5-(5H-imidazo[5,1-a]isoindol-5-yl)-1-methyl-4,5,6,7-tetrahydroindazol-4-ol
CID 129282520

Frequently Asked Questions

What is the IUPAC name of 6-(5H-imidazo[5,1-a]isoindol-5-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol?
The IUPAC name of 6-(5H-imidazo[5,1-a]isoindol-5-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol (CID 129296378) is 6-(5H-imidazo[5,1-a]isoindol-5-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol.
What is the SMILES notation for 6-(5H-imidazo[5,1-a]isoindol-5-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol?
The canonical SMILES for 6-(5H-imidazo[5,1-a]isoindol-5-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol is OC1c2scnc2CCC1C1c2ccccc2-c2cncn21.
What is the InChIKey of 6-(5H-imidazo[5,1-a]isoindol-5-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol?
The InChIKey is NVKDZCHUMFNGQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3OS/c21-16-12(5-6-13-17(16)22-9-19-13)15-11-4-2-1-3-10(11)14-7-18-8-20(14)15/h1-4,7-9,12,15-16,21H,5-6H2.
What are the key properties of 6-(5H-imidazo[5,1-a]isoindol-5-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol?
6-(5H-imidazo[5,1-a]isoindol-5-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol has a molecular weight of 309.39 g/mol, XLogP of 3.21, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5H-imidazo[5,1-a]isoindol-5-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol is sourced from PubChem (CID 129296378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).