1-[3-(2-methyl-[1,3]thiazolo[5,4-b]pyridin-5-yl)phenyl]ethanone

C15H12N2OS — CID 91491242

IUPAC1-[3-(2-methyl-[1,3]thiazolo[5,4-b]pyridin-5-yl)phenyl]ethanone
SMILESCC(=O)c1cccc(-c2ccc3nc(C)sc3n2)c1
InChIInChI=1S/C15H12N2OS/c1-9(18)11-4-3-5-12(8-11)13-6-7-14-15(17-13)19-10(2)16-14/h3-8H,1-2H3
InChIKeyXUHBICSGNFIOJK-UHFFFAOYSA-N
MW268.34 g/mol
LogP3.87
Rot. Bonds2

About 1-[3-(2-methyl-[1,3]thiazolo[5,4-b]pyridin-5-yl)phenyl]ethanone

1-[3-(2-methyl-[1,3]thiazolo[5,4-b]pyridin-5-yl)phenyl]ethanone (PubChem CID 91491242) has the molecular formula C15H12N2OS and a molecular weight of 268.34 g/mol. Its IUPAC name is 1-[3-(2-methyl-[1,3]thiazolo[5,4-b]pyridin-5-yl)phenyl]ethanone.

Molecular Properties

Compound Name1-[3-(2-methyl-[1,3]thiazolo[5,4-b]pyridin-5-yl)phenyl]ethanone
PubChem CID91491242
Molecular FormulaC15H12N2OS
Molecular Weight268.34 g/mol
Exact Mass268.07
IUPAC Name1-[3-(2-methyl-[1,3]thiazolo[5,4-b]pyridin-5-yl)phenyl]ethanone
SMILESCC(=O)c1cccc(-c2ccc3nc(C)sc3n2)c1
InChIInChI=1S/C15H12N2OS/c1-9(18)11-4-3-5-12(8-11)13-6-7-14-15(17-13)19-10(2)16-14/h3-8H,1-2H3
InChIKeyXUHBICSGNFIOJK-UHFFFAOYSA-N
XLogP3.87
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.34
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-methyl-1,3-thiazol-5-yl)benzoic acid
CID 68846285
1-[3-(1H-pyrazol-4-yl)phenyl]ethanone
CID 121358272
4-(3-acetylphenyl)-6-methyl-1H-pyrimidin-2-one
CID 105485427
4-(3-acetylphenyl)pyridine-3-carboxylic acid
CID 53229293
1-(3-acridin-9-ylphenyl)ethanone
CID 18966030
2-(3-acetylphenyl)benzoic acid
CID 2756265
3-(5-methyl-1,3-thiazol-2-yl)benzoic acid
CID 54594926
1-[3-(4-methyl-1,3-oxazol-2-yl)phenyl]ethanone
CID 115022186
1-[3-(2-methyl-1H-imidazol-5-yl)phenyl]ethanone
CID 39805487
2-methyl-6-(3-methylsulfonylphenyl)-1,3-benzothiazole;1-pyridin-3-ylethanone
CID 143885546
1-[3-[4-methyl-5-(4-propan-2-ylpiperazine-1-carbonyl)-1,3-thiazol-2-yl]phenyl]ethanone
CID 59337830
1-[[4-(3-acetylphenyl)-1,3-thiazol-2-yl]methyl]pyrazole-4-carboxylic acid
CID 58127895

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-methyl-[1,3]thiazolo[5,4-b]pyridin-5-yl)phenyl]ethanone?
The IUPAC name of 1-[3-(2-methyl-[1,3]thiazolo[5,4-b]pyridin-5-yl)phenyl]ethanone (CID 91491242) is 1-[3-(2-methyl-[1,3]thiazolo[5,4-b]pyridin-5-yl)phenyl]ethanone.
What is the SMILES notation for 1-[3-(2-methyl-[1,3]thiazolo[5,4-b]pyridin-5-yl)phenyl]ethanone?
The canonical SMILES for 1-[3-(2-methyl-[1,3]thiazolo[5,4-b]pyridin-5-yl)phenyl]ethanone is CC(=O)c1cccc(-c2ccc3nc(C)sc3n2)c1.
What is the InChIKey of 1-[3-(2-methyl-[1,3]thiazolo[5,4-b]pyridin-5-yl)phenyl]ethanone?
The InChIKey is XUHBICSGNFIOJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2OS/c1-9(18)11-4-3-5-12(8-11)13-6-7-14-15(17-13)19-10(2)16-14/h3-8H,1-2H3.
What are the key properties of 1-[3-(2-methyl-[1,3]thiazolo[5,4-b]pyridin-5-yl)phenyl]ethanone?
1-[3-(2-methyl-[1,3]thiazolo[5,4-b]pyridin-5-yl)phenyl]ethanone has a molecular weight of 268.34 g/mol, XLogP of 3.87, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-methyl-[1,3]thiazolo[5,4-b]pyridin-5-yl)phenyl]ethanone is sourced from PubChem (CID 91491242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).