1-[[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]methyl]-4-methylpyridin-2-one

C18H18N2O2S — CID 84566125

IUPAC1-[[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]methyl]-4-methylpyridin-2-one
SMILESCOc1ccc(C)cc1-c1csc(Cn2ccc(C)cc2=O)n1
InChIInChI=1S/C18H18N2O2S/c1-12-4-5-16(22-3)14(8-12)15-11-23-17(19-15)10-20-7-6-13(2)9-18(20)21/h4-9,11H,10H2,1-3H3
InChIKeyDLXLZBGQLZYNCN-UHFFFAOYSA-N
MW326.42 g/mol
LogP3.65
Rot. Bonds4

About 1-[[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]methyl]-4-methylpyridin-2-one

1-[[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]methyl]-4-methylpyridin-2-one (PubChem CID 84566125) has the molecular formula C18H18N2O2S and a molecular weight of 326.42 g/mol. Its IUPAC name is 1-[[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]methyl]-4-methylpyridin-2-one.

Molecular Properties

Compound Name1-[[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]methyl]-4-methylpyridin-2-one
PubChem CID84566125
Molecular FormulaC18H18N2O2S
Molecular Weight326.42 g/mol
Exact Mass326.11
IUPAC Name1-[[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]methyl]-4-methylpyridin-2-one
SMILESCOc1ccc(C)cc1-c1csc(Cn2ccc(C)cc2=O)n1
InChIInChI=1S/C18H18N2O2S/c1-12-4-5-16(22-3)14(8-12)15-11-23-17(19-15)10-20-7-6-13(2)9-18(20)21/h4-9,11H,10H2,1-3H3
InChIKeyDLXLZBGQLZYNCN-UHFFFAOYSA-N
XLogP3.65
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[[4-(2-fluorophenyl)-1,3-thiazol-2-yl]methyl]-4-methylpyridin-2-one
CID 84566782
2-[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]acetic acid
CID 28942199
1-[2-[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]ethyl]pyrrolidin-2-one
CID 51100877
ethyl 2-[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]acetate
CID 28942120
2-[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]-N-methylethanamine;hydrochloride
CID 120558486
N-[3-[2-[(4-methyl-2-oxo-1-pyridinyl)methyl]-1,3-thiazol-4-yl]phenyl]acetamide
CID 84566142
ethyl 3-[2-[(4-methyl-2-oxo-1-pyridinyl)methyl]-1,3-thiazol-4-yl]propanoate
CID 84566781
1-[(3-fluoro-4-methoxyphenyl)methyl]-4-methylpyridin-2-one
CID 113232235
4-(5-chloro-2-methoxyphenyl)-2-(piperidin-1-ylmethyl)-1,3-thiazole
CID 84566839
2-(2-fluorophenyl)sulfanyl-N-[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]acetamide
CID 26723728
2-amino-N-[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]pentanamide;hydrochloride
CID 119273540
2-(chloromethyl)-4-(2,5-dimethoxyphenyl)-1,3-thiazole
CID 62922717

Frequently Asked Questions

What is the IUPAC name of 1-[[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]methyl]-4-methylpyridin-2-one?
The IUPAC name of 1-[[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]methyl]-4-methylpyridin-2-one (CID 84566125) is 1-[[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]methyl]-4-methylpyridin-2-one.
What is the SMILES notation for 1-[[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]methyl]-4-methylpyridin-2-one?
The canonical SMILES for 1-[[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]methyl]-4-methylpyridin-2-one is COc1ccc(C)cc1-c1csc(Cn2ccc(C)cc2=O)n1.
What is the InChIKey of 1-[[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]methyl]-4-methylpyridin-2-one?
The InChIKey is DLXLZBGQLZYNCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O2S/c1-12-4-5-16(22-3)14(8-12)15-11-23-17(19-15)10-20-7-6-13(2)9-18(20)21/h4-9,11H,10H2,1-3H3.
What are the key properties of 1-[[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]methyl]-4-methylpyridin-2-one?
1-[[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]methyl]-4-methylpyridin-2-one has a molecular weight of 326.42 g/mol, XLogP of 3.65, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]methyl]-4-methylpyridin-2-one is sourced from PubChem (CID 84566125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).