1-(2-isoquinolin-4-yl-1,3-thiazol-4-yl)ethanone

C14H10N2OS — CID 113420193

IUPAC1-(2-isoquinolin-4-yl-1,3-thiazol-4-yl)ethanone
SMILESCC(=O)c1csc(-c2cncc3ccccc23)n1
InChIInChI=1S/C14H10N2OS/c1-9(17)13-8-18-14(16-13)12-7-15-6-10-4-2-3-5-11(10)12/h2-8H,1H3
InChIKeyWFQWLGLDNNBTEC-UHFFFAOYSA-N
MW254.31 g/mol
LogP3.56
Rot. Bonds2

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

1-(2-isoquinolin-4-yl-1,3-thiazol-4-yl)ethanone (PubChem CID 113420193) has the molecular formula C14H10N2OS and a molecular weight of 254.31 g/mol. Its IUPAC name is 1-(2-isoquinolin-4-yl-1,3-thiazol-4-yl)ethanone.

Molecular Properties

Compound Name1-(2-isoquinolin-4-yl-1,3-thiazol-4-yl)ethanone
PubChem CID113420193
Molecular FormulaC14H10N2OS
Molecular Weight254.31 g/mol
Exact Mass254.05
IUPAC Name1-(2-isoquinolin-4-yl-1,3-thiazol-4-yl)ethanone
SMILESCC(=O)c1csc(-c2cncc3ccccc23)n1
InChIInChI=1S/C14H10N2OS/c1-9(17)13-8-18-14(16-13)12-7-15-6-10-4-2-3-5-11(10)12/h2-8H,1H3
InChIKeyWFQWLGLDNNBTEC-UHFFFAOYSA-N
XLogP3.56
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.31
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-quinolin-4-yl-1,3-thiazol-4-yl)ethanone
CID 64542810
5-acetyl-2-isoquinolin-4-yl-1,3-thiazole-4-carboxylic acid
CID 106696109
1-(2-isoquinolin-4-yl-1,3-thiazol-4-yl)ethanamine
CID 104504761
1-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethanone
CID 22888692
1-[2-[2-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]ethanone
CID 64542408
methyl 2-naphthalen-1-yl-1,3-thiazole-4-carboxylate
CID 113306366
1-[2-(5-bromoquinolin-8-yl)-1,3-thiazol-4-yl]ethanone
CID 112618305
1-[2-(1H-pyrrol-2-yl)-1,3-thiazol-4-yl]ethanone
CID 136984683
1-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethanone
CID 64542603
5-isoquinolin-4-ylpyridine-2-carboxylic acid
CID 63938378
1-[2-(3-methylphenyl)-1,3-thiazol-4-yl]ethanone
CID 64543607
1-[2-(5-fluoro-2-pyridinyl)-1,3-thiazol-4-yl]ethanone
CID 79712444

Frequently Asked Questions

What is the IUPAC name of 1-(2-isoquinolin-4-yl-1,3-thiazol-4-yl)ethanone?
The IUPAC name of 1-(2-isoquinolin-4-yl-1,3-thiazol-4-yl)ethanone (CID 113420193) is 1-(2-isoquinolin-4-yl-1,3-thiazol-4-yl)ethanone.
What is the SMILES notation for 1-(2-isoquinolin-4-yl-1,3-thiazol-4-yl)ethanone?
The canonical SMILES for 1-(2-isoquinolin-4-yl-1,3-thiazol-4-yl)ethanone is CC(=O)c1csc(-c2cncc3ccccc23)n1.
What is the InChIKey of 1-(2-isoquinolin-4-yl-1,3-thiazol-4-yl)ethanone?
The InChIKey is WFQWLGLDNNBTEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2OS/c1-9(17)13-8-18-14(16-13)12-7-15-6-10-4-2-3-5-11(10)12/h2-8H,1H3.
What are the key properties of 1-(2-isoquinolin-4-yl-1,3-thiazol-4-yl)ethanone?
1-(2-isoquinolin-4-yl-1,3-thiazol-4-yl)ethanone has a molecular weight of 254.31 g/mol, XLogP of 3.56, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-isoquinolin-4-yl-1,3-thiazol-4-yl)ethanone is sourced from PubChem (CID 113420193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).