6-(1,3-thiazol-5-yl)isoquinolin-5-ol

C12H8N2OS — CID 168925780

IUPAC6-(1,3-thiazol-5-yl)isoquinolin-5-ol
SMILESOc1c(-c2cncs2)ccc2cnccc12
InChIInChI=1S/C12H8N2OS/c15-12-9-3-4-13-5-8(9)1-2-10(12)11-6-14-7-16-11/h1-7,15H
InChIKeyXLKWHOGJZUAALZ-UHFFFAOYSA-N
MW228.28 g/mol
LogP3.06
Rot. Bonds1

About 6-(1,3-thiazol-5-yl)isoquinolin-5-ol

6-(1,3-thiazol-5-yl)isoquinolin-5-ol (PubChem CID 168925780) has the molecular formula C12H8N2OS and a molecular weight of 228.28 g/mol. Its IUPAC name is 6-(1,3-thiazol-5-yl)isoquinolin-5-ol.

Molecular Properties

Compound Name6-(1,3-thiazol-5-yl)isoquinolin-5-ol
PubChem CID168925780
Molecular FormulaC12H8N2OS
Molecular Weight228.28 g/mol
Exact Mass228.04
IUPAC Name6-(1,3-thiazol-5-yl)isoquinolin-5-ol
SMILESOc1c(-c2cncs2)ccc2cnccc12
InChIInChI=1S/C12H8N2OS/c15-12-9-3-4-13-5-8(9)1-2-10(12)11-6-14-7-16-11/h1-7,15H
InChIKeyXLKWHOGJZUAALZ-UHFFFAOYSA-N
XLogP3.06
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.28
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(1,3-thiazol-5-yl)isoquinolin-5-amine
CID 168925511
6-chloroisoquinolin-5-ol
CID 115015519
5-isoquinolin-6-yl-1,3-thiazole
CID 168925552
3,8-phenanthroline
CID 13064691
3-(1,3-thiazol-5-yl)pyridin-4-amine
CID 130114568
5-(4-phenyl-3-pyridinyl)-1,3-thiazole
CID 173298269
6-propylisoquinolin-5-ol
CID 45117044
6-pyridin-3-ylisoquinolin-5-amine
CID 82583202
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
5-(4-fluorophenyl)isoquinolin-6-ol
CID 138972860
isoquinolin-5-ylboronic acid
CID 599474
(1-aminocyclopropyl)-isoquinolin-5-ylmethanone
CID 116576743

Frequently Asked Questions

What is the IUPAC name of 6-(1,3-thiazol-5-yl)isoquinolin-5-ol?
The IUPAC name of 6-(1,3-thiazol-5-yl)isoquinolin-5-ol (CID 168925780) is 6-(1,3-thiazol-5-yl)isoquinolin-5-ol.
What is the SMILES notation for 6-(1,3-thiazol-5-yl)isoquinolin-5-ol?
The canonical SMILES for 6-(1,3-thiazol-5-yl)isoquinolin-5-ol is Oc1c(-c2cncs2)ccc2cnccc12.
What is the InChIKey of 6-(1,3-thiazol-5-yl)isoquinolin-5-ol?
The InChIKey is XLKWHOGJZUAALZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8N2OS/c15-12-9-3-4-13-5-8(9)1-2-10(12)11-6-14-7-16-11/h1-7,15H.
What are the key properties of 6-(1,3-thiazol-5-yl)isoquinolin-5-ol?
6-(1,3-thiazol-5-yl)isoquinolin-5-ol has a molecular weight of 228.28 g/mol, XLogP of 3.06, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,3-thiazol-5-yl)isoquinolin-5-ol is sourced from PubChem (CID 168925780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).