4-hydroxy-1-[4-methyl-5-(3-phenylpropanoyl)-1,3-thiazol-2-yl]pyridin-2-one

C18H16N2O3S — CID 159389726

IUPAC4-hydroxy-1-[4-methyl-5-(3-phenylpropanoyl)-1,3-thiazol-2-yl]pyridin-2-one
SMILESCc1nc(-n2ccc(O)cc2=O)sc1C(=O)CCc1ccccc1
InChIInChI=1S/C18H16N2O3S/c1-12-17(15(22)8-7-13-5-3-2-4-6-13)24-18(19-12)20-10-9-14(21)11-16(20)23/h2-6,9-11,21H,7-8H2,1H3
InChIKeyLLYMZANLVISYLY-UHFFFAOYSA-N
MW340.40 g/mol
LogP3.12
Rot. Bonds5

About 4-hydroxy-1-[4-methyl-5-(3-phenylpropanoyl)-1,3-thiazol-2-yl]pyridin-2-one

4-hydroxy-1-[4-methyl-5-(3-phenylpropanoyl)-1,3-thiazol-2-yl]pyridin-2-one (PubChem CID 159389726) has the molecular formula C18H16N2O3S and a molecular weight of 340.40 g/mol. Its IUPAC name is 4-hydroxy-1-[4-methyl-5-(3-phenylpropanoyl)-1,3-thiazol-2-yl]pyridin-2-one.

Molecular Properties

Compound Name4-hydroxy-1-[4-methyl-5-(3-phenylpropanoyl)-1,3-thiazol-2-yl]pyridin-2-one
PubChem CID159389726
Molecular FormulaC18H16N2O3S
Molecular Weight340.40 g/mol
Exact Mass340.09
IUPAC Name4-hydroxy-1-[4-methyl-5-(3-phenylpropanoyl)-1,3-thiazol-2-yl]pyridin-2-one
SMILESCc1nc(-n2ccc(O)cc2=O)sc1C(=O)CCc1ccccc1
InChIInChI=1S/C18H16N2O3S/c1-12-17(15(22)8-7-13-5-3-2-4-6-13)24-18(19-12)20-10-9-14(21)11-16(20)23/h2-6,9-11,21H,7-8H2,1H3
InChIKeyLLYMZANLVISYLY-UHFFFAOYSA-N
XLogP3.12
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.40
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 2-(4-hydroxy-2-oxo-1-pyridinyl)-4-methyl-1,3-thiazole-5-carboxylate
CID 54742342
N-benzyl-4-methyl-2-[2-oxo-4-(2-phenylethyl)-1-pyridinyl]-1,3-thiazole-5-carboxamide
CID 24984128
N-[(3E,5E)-6-fluoro-3-methylhepta-3,5-dienyl]-2-(4-hydroxy-2-oxo-1-pyridinyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 89313211
1-[4-methyl-5-(3-phenylpropanoyl)thiophen-2-yl]-4-phenylmethoxypyridin-2-one
CID 162219045
3-[[3-[4-methyl-5-(3-phenylpropanoyl)-1,3-thiazol-2-yl]-2-oxoimidazolidin-1-yl]methyl]benzoic acid
CID 58031535
ethyl 2-[3-[4-methyl-5-(3-phenylpropanoyl)-1,3-thiazol-2-yl]-2-oxoimidazolidin-1-yl]acetate
CID 58031592
1-[(2-methylphenyl)methyl]-3-[4-methyl-5-(3-phenylpropanoyl)-1,3-thiazol-2-yl]imidazolidin-2-one
CID 58031607
1-[4-methyl-5-(3-phenylpropanoyl)thiophen-2-yl]-4-(2-phenylethoxy)pyridin-2-one
CID 149317799
1-[2-(5-benzyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)-4-methyl-1,3-thiazol-5-yl]-3-phenylpropan-1-one
CID 58031683
ethyl 5-methyl-1-[4-methyl-5-(3-phenylpropanoyl)-1,3-thiazol-2-yl]triazole-4-carboxylate
CID 59179647
1-[4-(4-fluorophenyl)-2-oxobutyl]-3-[4-methyl-5-(3-phenylpropanoyl)-1,3-thiazol-2-yl]imidazolidin-2-one
CID 58031680
1-[4-methyl-5-(3-pyridin-3-ylpropanoyl)-1,3-thiazol-2-yl]-3-(3-phenylpropyl)imidazolidin-2-one
CID 58031631

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1-[4-methyl-5-(3-phenylpropanoyl)-1,3-thiazol-2-yl]pyridin-2-one?
The IUPAC name of 4-hydroxy-1-[4-methyl-5-(3-phenylpropanoyl)-1,3-thiazol-2-yl]pyridin-2-one (CID 159389726) is 4-hydroxy-1-[4-methyl-5-(3-phenylpropanoyl)-1,3-thiazol-2-yl]pyridin-2-one.
What is the SMILES notation for 4-hydroxy-1-[4-methyl-5-(3-phenylpropanoyl)-1,3-thiazol-2-yl]pyridin-2-one?
The canonical SMILES for 4-hydroxy-1-[4-methyl-5-(3-phenylpropanoyl)-1,3-thiazol-2-yl]pyridin-2-one is Cc1nc(-n2ccc(O)cc2=O)sc1C(=O)CCc1ccccc1.
What is the InChIKey of 4-hydroxy-1-[4-methyl-5-(3-phenylpropanoyl)-1,3-thiazol-2-yl]pyridin-2-one?
The InChIKey is LLYMZANLVISYLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O3S/c1-12-17(15(22)8-7-13-5-3-2-4-6-13)24-18(19-12)20-10-9-14(21)11-16(20)23/h2-6,9-11,21H,7-8H2,1H3.
What are the key properties of 4-hydroxy-1-[4-methyl-5-(3-phenylpropanoyl)-1,3-thiazol-2-yl]pyridin-2-one?
4-hydroxy-1-[4-methyl-5-(3-phenylpropanoyl)-1,3-thiazol-2-yl]pyridin-2-one has a molecular weight of 340.40 g/mol, XLogP of 3.12, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1-[4-methyl-5-(3-phenylpropanoyl)-1,3-thiazol-2-yl]pyridin-2-one is sourced from PubChem (CID 159389726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).