1-isoquinolin-8-yl-2-(4-methyl-1,3-thiazol-2-yl)ethanol

C15H14N2OS — CID 103143412

IUPAC1-isoquinolin-8-yl-2-(4-methyl-1,3-thiazol-2-yl)ethanol
SMILESCc1csc(CC(O)c2cccc3ccncc23)n1
InChIInChI=1S/C15H14N2OS/c1-10-9-19-15(17-10)7-14(18)12-4-2-3-11-5-6-16-8-13(11)12/h2-6,8-9,14,18H,7H2,1H3
InChIKeyCMDWDZGYFWREDS-UHFFFAOYSA-N
MW270.36 g/mol
LogP3.28
Rot. Bonds3

About 1-isoquinolin-8-yl-2-(4-methyl-1,3-thiazol-2-yl)ethanol

1-isoquinolin-8-yl-2-(4-methyl-1,3-thiazol-2-yl)ethanol (PubChem CID 103143412) has the molecular formula C15H14N2OS and a molecular weight of 270.36 g/mol. Its IUPAC name is 1-isoquinolin-8-yl-2-(4-methyl-1,3-thiazol-2-yl)ethanol.

Molecular Properties

Compound Name1-isoquinolin-8-yl-2-(4-methyl-1,3-thiazol-2-yl)ethanol
PubChem CID103143412
Molecular FormulaC15H14N2OS
Molecular Weight270.36 g/mol
Exact Mass270.08
IUPAC Name1-isoquinolin-8-yl-2-(4-methyl-1,3-thiazol-2-yl)ethanol
SMILESCc1csc(CC(O)c2cccc3ccncc23)n1
InChIInChI=1S/C15H14N2OS/c1-10-9-19-15(17-10)7-14(18)12-4-2-3-11-5-6-16-8-13(11)12/h2-6,8-9,14,18H,7H2,1H3
InChIKeyCMDWDZGYFWREDS-UHFFFAOYSA-N
XLogP3.28
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.36
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,3-dimethylphenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanol
CID 62797386
1-isoquinolin-5-yl-2-(4-methyl-1,3-thiazol-2-yl)ethanamine
CID 55119046
1-(3-bromo-2-methylphenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanol
CID 115824178
1-isoquinolin-8-ylpentan-1-ol
CID 103138987
2-(4-methyl-1,3-thiazol-2-yl)-1-pyrimidin-5-ylethanol
CID 62796863
1-isoquinolin-8-yl-2-(1,3,5-trimethylpyrazol-4-yl)ethanol
CID 103139051
1-isoquinolin-8-yl-3-methoxy-3-methylbutan-1-ol
CID 103139145
2-(4-methyl-1,3-thiazol-2-yl)-1-(2,3,4-trifluorophenyl)ethanol
CID 55155228
(5-iodothiophen-3-yl)-isoquinolin-8-ylmethanol
CID 103139479
isoquinolin-8-yl-(4-methyl-3-pyridinyl)methanamine
CID 103143849
1-isoquinolin-4-yl-2-(4-methyl-1,3-thiazol-2-yl)ethanamine
CID 63940953
2-(4-methyl-1,3-thiazol-2-yl)-1-(thiadiazol-5-yl)ethanol
CID 105117676

Frequently Asked Questions

What is the IUPAC name of 1-isoquinolin-8-yl-2-(4-methyl-1,3-thiazol-2-yl)ethanol?
The IUPAC name of 1-isoquinolin-8-yl-2-(4-methyl-1,3-thiazol-2-yl)ethanol (CID 103143412) is 1-isoquinolin-8-yl-2-(4-methyl-1,3-thiazol-2-yl)ethanol.
What is the SMILES notation for 1-isoquinolin-8-yl-2-(4-methyl-1,3-thiazol-2-yl)ethanol?
The canonical SMILES for 1-isoquinolin-8-yl-2-(4-methyl-1,3-thiazol-2-yl)ethanol is Cc1csc(CC(O)c2cccc3ccncc23)n1.
What is the InChIKey of 1-isoquinolin-8-yl-2-(4-methyl-1,3-thiazol-2-yl)ethanol?
The InChIKey is CMDWDZGYFWREDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2OS/c1-10-9-19-15(17-10)7-14(18)12-4-2-3-11-5-6-16-8-13(11)12/h2-6,8-9,14,18H,7H2,1H3.
What are the key properties of 1-isoquinolin-8-yl-2-(4-methyl-1,3-thiazol-2-yl)ethanol?
1-isoquinolin-8-yl-2-(4-methyl-1,3-thiazol-2-yl)ethanol has a molecular weight of 270.36 g/mol, XLogP of 3.28, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-isoquinolin-8-yl-2-(4-methyl-1,3-thiazol-2-yl)ethanol is sourced from PubChem (CID 103143412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).