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

C15H14N2OS — CID 91586334

IUPAC1-(1H-isoquinolin-2-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone
SMILESCc1nc(CC(=O)N2C=Cc3ccccc3C2)cs1
InChIInChI=1S/C15H14N2OS/c1-11-16-14(10-19-11)8-15(18)17-7-6-12-4-2-3-5-13(12)9-17/h2-7,10H,8-9H2,1H3
InChIKeyIPILJJATRVEYBJ-UHFFFAOYSA-N
MW270.36 g/mol
LogP3.01
Rot. Bonds2

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

1-(1H-isoquinolin-2-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone (PubChem CID 91586334) has the molecular formula C15H14N2OS and a molecular weight of 270.36 g/mol. Its IUPAC name is 1-(1H-isoquinolin-2-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone.

Molecular Properties

Compound Name1-(1H-isoquinolin-2-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone
PubChem CID91586334
Molecular FormulaC15H14N2OS
Molecular Weight270.36 g/mol
Exact Mass270.08
IUPAC Name1-(1H-isoquinolin-2-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone
SMILESCc1nc(CC(=O)N2C=Cc3ccccc3C2)cs1
InChIInChI=1S/C15H14N2OS/c1-11-16-14(10-19-11)8-15(18)17-7-6-12-4-2-3-5-13(12)9-17/h2-7,10H,8-9H2,1H3
InChIKeyIPILJJATRVEYBJ-UHFFFAOYSA-N
XLogP3.01
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.36
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone
CID 29452795
N-(2,3-dihydro-1H-inden-2-yl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 70770672
2-(1H-isoquinoline-2-carbonyl)-4-[2-(2-methyl-1,3-thiazol-4-yl)ethynyl]benzonitrile
CID 134261216
N-benzyl-2-[4-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]piperazin-1-yl]acetamide
CID 30457204
[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 2-(2-methyl-1,3-thiazol-4-yl)acetate
CID 42979604
4-amino-1-(2-methyl-1,3-thiazol-4-yl)butan-2-one
CID 116550795
1-(2-chlorophenyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone
CID 62800198
4-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]piperazin-2-one
CID 47101126
1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone
CID 94180394
2-(2-methyl-1,3-thiazol-4-yl)-1-[(2R,6S)-2-phenyl-6-propan-2-ylmorpholin-4-yl]ethanone
CID 155499715
1-[3-benzyl-3-(hydroxymethyl)piperidin-1-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone
CID 45171451
1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]propan-1-one
CID 16908975

Frequently Asked Questions

What is the IUPAC name of 1-(1H-isoquinolin-2-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone?
The IUPAC name of 1-(1H-isoquinolin-2-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone (CID 91586334) is 1-(1H-isoquinolin-2-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone.
What is the SMILES notation for 1-(1H-isoquinolin-2-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone?
The canonical SMILES for 1-(1H-isoquinolin-2-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone is Cc1nc(CC(=O)N2C=Cc3ccccc3C2)cs1.
What is the InChIKey of 1-(1H-isoquinolin-2-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone?
The InChIKey is IPILJJATRVEYBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2OS/c1-11-16-14(10-19-11)8-15(18)17-7-6-12-4-2-3-5-13(12)9-17/h2-7,10H,8-9H2,1H3.
What are the key properties of 1-(1H-isoquinolin-2-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone?
1-(1H-isoquinolin-2-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone has a molecular weight of 270.36 g/mol, XLogP of 3.01, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-isoquinolin-2-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone is sourced from PubChem (CID 91586334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).