7-acetyl-3-methyl-6-phenyl-[1,3]thiazolo[3,2-a]pyridin-5-one

C16H13NO2S — CID 167431862

IUPAC7-acetyl-3-methyl-6-phenyl-[1,3]thiazolo[3,2-a]pyridin-5-one
SMILESCC(=O)c1cc2scc(C)n2c(=O)c1-c1ccccc1
InChIInChI=1S/C16H13NO2S/c1-10-9-20-14-8-13(11(2)18)15(16(19)17(10)14)12-6-4-3-5-7-12/h3-9H,1-2H3
InChIKeyDXALCAMVKMELAU-UHFFFAOYSA-N
MW283.35 g/mol
LogP3.54
Rot. Bonds2

About 7-acetyl-3-methyl-6-phenyl-[1,3]thiazolo[3,2-a]pyridin-5-one

7-acetyl-3-methyl-6-phenyl-[1,3]thiazolo[3,2-a]pyridin-5-one (PubChem CID 167431862) has the molecular formula C16H13NO2S and a molecular weight of 283.35 g/mol. Its IUPAC name is 7-acetyl-3-methyl-6-phenyl-[1,3]thiazolo[3,2-a]pyridin-5-one.

Molecular Properties

Compound Name7-acetyl-3-methyl-6-phenyl-[1,3]thiazolo[3,2-a]pyridin-5-one
PubChem CID167431862
Molecular FormulaC16H13NO2S
Molecular Weight283.35 g/mol
Exact Mass283.07
IUPAC Name7-acetyl-3-methyl-6-phenyl-[1,3]thiazolo[3,2-a]pyridin-5-one
SMILESCC(=O)c1cc2scc(C)n2c(=O)c1-c1ccccc1
InChIInChI=1S/C16H13NO2S/c1-10-9-20-14-8-13(11(2)18)15(16(19)17(10)14)12-6-4-3-5-7-12/h3-9H,1-2H3
InChIKeyDXALCAMVKMELAU-UHFFFAOYSA-N
XLogP3.54
TPSA38.55 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.35
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-methyl-5-oxo-6-phenyl-[1,3]thiazolo[3,2-a]pyridine-7-carboxylate
CID 134229037
7-[amino(cyclopropyl)methyl]-3-methyl-6-phenyl-[1,3]thiazolo[3,2-a]pyridin-5-one
CID 134229039
2-amino-4-methyl-6-[1-(3-methyl-5-oxo-6-phenyl-[1,3]thiazolo[3,2-a]pyridin-7-yl)ethylamino]pyrimidine-5-carbonitrile
CID 121314395
7-[1-(4-amino-3-iodopyrazolo[3,4-d]pyrimidin-1-yl)ethyl]-3-methyl-6-phenyl-[1,3]thiazolo[3,2-a]pyridin-5-one
CID 167431856
6-(3-fluorophenyl)-3-methyl-[1,3]thiazolo[3,2-a]pyridin-5-one
CID 175833836
3-acetyl-1-methyl-5-phenylpyridin-2-one
CID 24767090
3-methyl-N-[3-(1-methylimidazol-2-yl)phenyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 167916723
1-(7-methyl-1-phenylnaphthalen-2-yl)ethanone
CID 142221804
1-[2-methyl-4-(4-phenylphenyl)phenyl]ethanone
CID 20716213
5-acetyl-4-phenyl-2-pyridin-3-ylpyridazin-3-one
CID 118937995
7-[(1S)-1-[[6-amino-5-[4-(difluoromethoxy)-3-fluorobenzenecarboximidoyl]pyrimidin-4-yl]amino]ethyl]-3-methyl-6-phenyl-[1,3]thiazolo[3,2-a]pyridin-5-one
CID 166857094
N-[5-[4-amino-1-[(1S)-1-(3-methyl-5-oxo-6-phenyl-[1,3]thiazolo[3,2-a]pyridin-7-yl)ethyl]pyrazolo[3,4-d]pyrimidin-3-yl]-2-(trideuteriomethoxy)-3-pyridinyl]methanesulfonamide
CID 168788170

Frequently Asked Questions

What is the IUPAC name of 7-acetyl-3-methyl-6-phenyl-[1,3]thiazolo[3,2-a]pyridin-5-one?
The IUPAC name of 7-acetyl-3-methyl-6-phenyl-[1,3]thiazolo[3,2-a]pyridin-5-one (CID 167431862) is 7-acetyl-3-methyl-6-phenyl-[1,3]thiazolo[3,2-a]pyridin-5-one.
What is the SMILES notation for 7-acetyl-3-methyl-6-phenyl-[1,3]thiazolo[3,2-a]pyridin-5-one?
The canonical SMILES for 7-acetyl-3-methyl-6-phenyl-[1,3]thiazolo[3,2-a]pyridin-5-one is CC(=O)c1cc2scc(C)n2c(=O)c1-c1ccccc1.
What is the InChIKey of 7-acetyl-3-methyl-6-phenyl-[1,3]thiazolo[3,2-a]pyridin-5-one?
The InChIKey is DXALCAMVKMELAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO2S/c1-10-9-20-14-8-13(11(2)18)15(16(19)17(10)14)12-6-4-3-5-7-12/h3-9H,1-2H3.
What are the key properties of 7-acetyl-3-methyl-6-phenyl-[1,3]thiazolo[3,2-a]pyridin-5-one?
7-acetyl-3-methyl-6-phenyl-[1,3]thiazolo[3,2-a]pyridin-5-one has a molecular weight of 283.35 g/mol, XLogP of 3.54, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-acetyl-3-methyl-6-phenyl-[1,3]thiazolo[3,2-a]pyridin-5-one is sourced from PubChem (CID 167431862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).