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

C15H12N4OS — CID 121322059

IUPAC4-[2-(5H-imidazo[5,1-a]isoindol-5-yl)-1-nitrosoethyl]-1,3-thiazole
SMILESO=NC(CC1c2ccccc2-c2cncn21)c1cscn1
InChIInChI=1S/C15H12N4OS/c20-18-12(13-7-21-9-17-13)5-14-10-3-1-2-4-11(10)15-6-16-8-19(14)15/h1-4,6-9,12,14H,5H2
InChIKeyVLGIKYQVWMZOQP-UHFFFAOYSA-N
MW296.36 g/mol
LogP3.81
Rot. Bonds4

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

4-[2-(5H-imidazo[5,1-a]isoindol-5-yl)-1-nitrosoethyl]-1,3-thiazole (PubChem CID 121322059) has the molecular formula C15H12N4OS and a molecular weight of 296.36 g/mol. Its IUPAC name is 4-[2-(5H-imidazo[5,1-a]isoindol-5-yl)-1-nitrosoethyl]-1,3-thiazole.

Molecular Properties

Compound Name4-[2-(5H-imidazo[5,1-a]isoindol-5-yl)-1-nitrosoethyl]-1,3-thiazole
PubChem CID121322059
Molecular FormulaC15H12N4OS
Molecular Weight296.36 g/mol
Exact Mass296.07
IUPAC Name4-[2-(5H-imidazo[5,1-a]isoindol-5-yl)-1-nitrosoethyl]-1,3-thiazole
SMILESO=NC(CC1c2ccccc2-c2cncn21)c1cscn1
InChIInChI=1S/C15H12N4OS/c20-18-12(13-7-21-9-17-13)5-14-10-3-1-2-4-11(10)15-6-16-8-19(14)15/h1-4,6-9,12,14H,5H2
InChIKeyVLGIKYQVWMZOQP-UHFFFAOYSA-N
XLogP3.81
TPSA60.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.36
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-[2-(5H-imidazo[5,1-a]isoindol-5-yl)-1-nitrosoethyl]aniline
CID 118857926
2-(5H-imidazo[5,1-a]isoindol-5-yl)-1-(1,3-thiazol-5-yl)ethanol
CID 70874895
2-(5H-imidazo[5,1-a]isoindol-5-yl)-1-(1H-imidazol-2-yl)ethanol
CID 66558971
1-[4-(difluoromethylidene)cyclohexyl]-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethanol
CID 70874445
(1S)-1-(2-adamantyl)-2-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]ethanol
CID 122499160
4-[(1R)-1-hydroxy-2-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]ethyl]piperidine-1-carboxylic acid
CID 118690862
1-[1-hydroxy-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl]-4-phenylmethoxycyclohexan-1-ol
CID 118633335
5-[1-hydroxy-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl]bicyclo[3.2.2]nonane-1-carboxylic acid
CID 145402383
1-(1-adamantyl)-2-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]ethanone
CID 138962007
5-[1-hydroxy-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl]bicyclo[3.2.2]nonane-1-carboxamide
CID 145402215
1-(1-amino-4-phenylmethoxycyclohexyl)-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethanol
CID 121322100
1-(1,2-benzothiazol-5-yl)-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethanol
CID 134339527

Frequently Asked Questions

What is the IUPAC name of 4-[2-(5H-imidazo[5,1-a]isoindol-5-yl)-1-nitrosoethyl]-1,3-thiazole?
The IUPAC name of 4-[2-(5H-imidazo[5,1-a]isoindol-5-yl)-1-nitrosoethyl]-1,3-thiazole (CID 121322059) is 4-[2-(5H-imidazo[5,1-a]isoindol-5-yl)-1-nitrosoethyl]-1,3-thiazole.
What is the SMILES notation for 4-[2-(5H-imidazo[5,1-a]isoindol-5-yl)-1-nitrosoethyl]-1,3-thiazole?
The canonical SMILES for 4-[2-(5H-imidazo[5,1-a]isoindol-5-yl)-1-nitrosoethyl]-1,3-thiazole is O=NC(CC1c2ccccc2-c2cncn21)c1cscn1.
What is the InChIKey of 4-[2-(5H-imidazo[5,1-a]isoindol-5-yl)-1-nitrosoethyl]-1,3-thiazole?
The InChIKey is VLGIKYQVWMZOQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N4OS/c20-18-12(13-7-21-9-17-13)5-14-10-3-1-2-4-11(10)15-6-16-8-19(14)15/h1-4,6-9,12,14H,5H2.
What are the key properties of 4-[2-(5H-imidazo[5,1-a]isoindol-5-yl)-1-nitrosoethyl]-1,3-thiazole?
4-[2-(5H-imidazo[5,1-a]isoindol-5-yl)-1-nitrosoethyl]-1,3-thiazole has a molecular weight of 296.36 g/mol, XLogP of 3.81, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(5H-imidazo[5,1-a]isoindol-5-yl)-1-nitrosoethyl]-1,3-thiazole is sourced from PubChem (CID 121322059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).