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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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).