1-ethyl-3-(1,3-thiazol-2-yl)isoquinolin-4-ol

C14H12N2OS — CID 136643645

IUPAC1-ethyl-3-(1,3-thiazol-2-yl)isoquinolin-4-ol
SMILESCCc1nc(-c2nccs2)c(O)c2ccccc12
InChIInChI=1S/C14H12N2OS/c1-2-11-9-5-3-4-6-10(9)13(17)12(16-11)14-15-7-8-18-14/h3-8,17H,2H2,1H3
InChIKeyOFYCEFFMXMZURW-UHFFFAOYSA-N
MW256.33 g/mol
LogP3.63
Rot. Bonds2

About 1-ethyl-3-(1,3-thiazol-2-yl)isoquinolin-4-ol

1-ethyl-3-(1,3-thiazol-2-yl)isoquinolin-4-ol (PubChem CID 136643645) has the molecular formula C14H12N2OS and a molecular weight of 256.33 g/mol. Its IUPAC name is 1-ethyl-3-(1,3-thiazol-2-yl)isoquinolin-4-ol.

Molecular Properties

Compound Name1-ethyl-3-(1,3-thiazol-2-yl)isoquinolin-4-ol
PubChem CID136643645
Molecular FormulaC14H12N2OS
Molecular Weight256.33 g/mol
Exact Mass256.07
IUPAC Name1-ethyl-3-(1,3-thiazol-2-yl)isoquinolin-4-ol
SMILESCCc1nc(-c2nccs2)c(O)c2ccccc12
InChIInChI=1S/C14H12N2OS/c1-2-11-9-5-3-4-6-10(9)13(17)12(16-11)14-15-7-8-18-14/h3-8,17H,2H2,1H3
InChIKeyOFYCEFFMXMZURW-UHFFFAOYSA-N
XLogP3.63
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-(1,3-thiazol-2-yl)isoquinolin-4-ol?
The IUPAC name of 1-ethyl-3-(1,3-thiazol-2-yl)isoquinolin-4-ol (CID 136643645) is 1-ethyl-3-(1,3-thiazol-2-yl)isoquinolin-4-ol.
What is the SMILES notation for 1-ethyl-3-(1,3-thiazol-2-yl)isoquinolin-4-ol?
The canonical SMILES for 1-ethyl-3-(1,3-thiazol-2-yl)isoquinolin-4-ol is CCc1nc(-c2nccs2)c(O)c2ccccc12.
What is the InChIKey of 1-ethyl-3-(1,3-thiazol-2-yl)isoquinolin-4-ol?
The InChIKey is OFYCEFFMXMZURW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2OS/c1-2-11-9-5-3-4-6-10(9)13(17)12(16-11)14-15-7-8-18-14/h3-8,17H,2H2,1H3.
What are the key properties of 1-ethyl-3-(1,3-thiazol-2-yl)isoquinolin-4-ol?
1-ethyl-3-(1,3-thiazol-2-yl)isoquinolin-4-ol has a molecular weight of 256.33 g/mol, XLogP of 3.63, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-(1,3-thiazol-2-yl)isoquinolin-4-ol is sourced from PubChem (CID 136643645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).