5-isoquinolin-6-yl-1,3-thiazole

C12H8N2S — CID 168925552

IUPAC5-isoquinolin-6-yl-1,3-thiazole
SMILESc1cc2cc(-c3cncs3)ccc2cn1
InChIInChI=1S/C12H8N2S/c1-2-11-6-13-4-3-9(11)5-10(1)12-7-14-8-15-12/h1-8H
InChIKeyFZLLZDXEAZJZLX-UHFFFAOYSA-N
MW212.28 g/mol
LogP3.36
Rot. Bonds1

About 5-isoquinolin-6-yl-1,3-thiazole

5-isoquinolin-6-yl-1,3-thiazole (PubChem CID 168925552) has the molecular formula C12H8N2S and a molecular weight of 212.28 g/mol. Its IUPAC name is 5-isoquinolin-6-yl-1,3-thiazole.

Molecular Properties

Compound Name5-isoquinolin-6-yl-1,3-thiazole
PubChem CID168925552
Molecular FormulaC12H8N2S
Molecular Weight212.28 g/mol
Exact Mass212.04
IUPAC Name5-isoquinolin-6-yl-1,3-thiazole
SMILESc1cc2cc(-c3cncs3)ccc2cn1
InChIInChI=1S/C12H8N2S/c1-2-11-6-13-4-3-9(11)5-10(1)12-7-14-8-15-12/h1-8H
InChIKeyFZLLZDXEAZJZLX-UHFFFAOYSA-N
XLogP3.36
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.28
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-naphthalen-2-ylisoquinoline
CID 59724414
5-[6-(4-methylsulfonylphenyl)naphthalen-2-yl]-1,3-thiazole
CID 57319325
6-(1,3-thiazol-5-yl)isoquinolin-5-amine
CID 168925511
5-(3,4-dichlorophenyl)-1,3-thiazole
CID 76539858
6-(1,3-thiazol-5-yl)isoquinolin-5-ol
CID 168925780
6-[2,6-di(anthracen-2-yl)-4-pyridinyl]isoquinoline
CID 154599146
6-(2-anthracen-2-yl-6-isoquinolin-6-ylpyrimidin-4-yl)isoquinoline
CID 154599114
7-(14-isoquinolin-7-yl-6-pentacyclo[8.8.0.02,7.03,17.013,18]octadeca-1(10),2,4,6,8,11,13,15,17-nonaenyl)isoquinoline
CID 59845260
N-isoquinolin-6-yl-1,3,4-thiadiazol-2-amine
CID 90713193
5-(4-phenyl-3-pyridinyl)-1,3-thiazole
CID 173298269
ethane;5-phenyl-1,3-thiazole
CID 143177201
ethane;6-methylisoquinoline
CID 145106291

Frequently Asked Questions

What is the IUPAC name of 5-isoquinolin-6-yl-1,3-thiazole?
The IUPAC name of 5-isoquinolin-6-yl-1,3-thiazole (CID 168925552) is 5-isoquinolin-6-yl-1,3-thiazole.
What is the SMILES notation for 5-isoquinolin-6-yl-1,3-thiazole?
The canonical SMILES for 5-isoquinolin-6-yl-1,3-thiazole is c1cc2cc(-c3cncs3)ccc2cn1.
What is the InChIKey of 5-isoquinolin-6-yl-1,3-thiazole?
The InChIKey is FZLLZDXEAZJZLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8N2S/c1-2-11-6-13-4-3-9(11)5-10(1)12-7-14-8-15-12/h1-8H.
What are the key properties of 5-isoquinolin-6-yl-1,3-thiazole?
5-isoquinolin-6-yl-1,3-thiazole has a molecular weight of 212.28 g/mol, XLogP of 3.36, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-isoquinolin-6-yl-1,3-thiazole is sourced from PubChem (CID 168925552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).