1-[[4-(2-fluorophenyl)-1,3-thiazol-2-yl]methyl]-4-methylpyridin-2-one

C16H13FN2OS — CID 84566782

IUPAC1-[[4-(2-fluorophenyl)-1,3-thiazol-2-yl]methyl]-4-methylpyridin-2-one
SMILESCc1ccn(Cc2nc(-c3ccccc3F)cs2)c(=O)c1
InChIInChI=1S/C16H13FN2OS/c1-11-6-7-19(16(20)8-11)9-15-18-14(10-21-15)12-4-2-3-5-13(12)17/h2-8,10H,9H2,1H3
InChIKeyINDIETKCQWVLFE-UHFFFAOYSA-N
MW300.36 g/mol
LogP3.47
Rot. Bonds3

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

1-[[4-(2-fluorophenyl)-1,3-thiazol-2-yl]methyl]-4-methylpyridin-2-one (PubChem CID 84566782) has the molecular formula C16H13FN2OS and a molecular weight of 300.36 g/mol. Its IUPAC name is 1-[[4-(2-fluorophenyl)-1,3-thiazol-2-yl]methyl]-4-methylpyridin-2-one.

Molecular Properties

Compound Name1-[[4-(2-fluorophenyl)-1,3-thiazol-2-yl]methyl]-4-methylpyridin-2-one
PubChem CID84566782
Molecular FormulaC16H13FN2OS
Molecular Weight300.36 g/mol
Exact Mass300.07
IUPAC Name1-[[4-(2-fluorophenyl)-1,3-thiazol-2-yl]methyl]-4-methylpyridin-2-one
SMILESCc1ccn(Cc2nc(-c3ccccc3F)cs2)c(=O)c1
InChIInChI=1S/C16H13FN2OS/c1-11-6-7-19(16(20)8-11)9-15-18-14(10-21-15)12-4-2-3-5-13(12)17/h2-8,10H,9H2,1H3
InChIKeyINDIETKCQWVLFE-UHFFFAOYSA-N
XLogP3.47
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[[4-(2-fluorophenyl)-1,3-thiazol-2-yl]methyl]-4-methylpyridin-2-one?
The IUPAC name of 1-[[4-(2-fluorophenyl)-1,3-thiazol-2-yl]methyl]-4-methylpyridin-2-one (CID 84566782) is 1-[[4-(2-fluorophenyl)-1,3-thiazol-2-yl]methyl]-4-methylpyridin-2-one.
What is the SMILES notation for 1-[[4-(2-fluorophenyl)-1,3-thiazol-2-yl]methyl]-4-methylpyridin-2-one?
The canonical SMILES for 1-[[4-(2-fluorophenyl)-1,3-thiazol-2-yl]methyl]-4-methylpyridin-2-one is Cc1ccn(Cc2nc(-c3ccccc3F)cs2)c(=O)c1.
What is the InChIKey of 1-[[4-(2-fluorophenyl)-1,3-thiazol-2-yl]methyl]-4-methylpyridin-2-one?
The InChIKey is INDIETKCQWVLFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN2OS/c1-11-6-7-19(16(20)8-11)9-15-18-14(10-21-15)12-4-2-3-5-13(12)17/h2-8,10H,9H2,1H3.
What are the key properties of 1-[[4-(2-fluorophenyl)-1,3-thiazol-2-yl]methyl]-4-methylpyridin-2-one?
1-[[4-(2-fluorophenyl)-1,3-thiazol-2-yl]methyl]-4-methylpyridin-2-one has a molecular weight of 300.36 g/mol, XLogP of 3.47, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(2-fluorophenyl)-1,3-thiazol-2-yl]methyl]-4-methylpyridin-2-one is sourced from PubChem (CID 84566782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).