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

C10H9FN2OS — CID 99791417

IUPAC5-fluoro-1-[(4-methyl-1,3-thiazol-2-yl)methyl]pyridin-2-one
SMILESCc1csc(Cn2cc(F)ccc2=O)n1
InChIInChI=1S/C10H9FN2OS/c1-7-6-15-9(12-7)5-13-4-8(11)2-3-10(13)14/h2-4,6H,5H2,1H3
InChIKeyXTVHZGNTBXQMHY-UHFFFAOYSA-N
MW224.26 g/mol
LogP1.80
Rot. Bonds2

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

5-fluoro-1-[(4-methyl-1,3-thiazol-2-yl)methyl]pyridin-2-one (PubChem CID 99791417) has the molecular formula C10H9FN2OS and a molecular weight of 224.26 g/mol. Its IUPAC name is 5-fluoro-1-[(4-methyl-1,3-thiazol-2-yl)methyl]pyridin-2-one.

Molecular Properties

Compound Name5-fluoro-1-[(4-methyl-1,3-thiazol-2-yl)methyl]pyridin-2-one
PubChem CID99791417
Molecular FormulaC10H9FN2OS
Molecular Weight224.26 g/mol
Exact Mass224.04
IUPAC Name5-fluoro-1-[(4-methyl-1,3-thiazol-2-yl)methyl]pyridin-2-one
SMILESCc1csc(Cn2cc(F)ccc2=O)n1
InChIInChI=1S/C10H9FN2OS/c1-7-6-15-9(12-7)5-13-4-8(11)2-3-10(13)14/h2-4,6H,5H2,1H3
InChIKeyXTVHZGNTBXQMHY-UHFFFAOYSA-N
XLogP1.80
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1-[(4-methyl-1,3-thiazol-2-yl)methyl]pyridin-2-one?
The IUPAC name of 5-fluoro-1-[(4-methyl-1,3-thiazol-2-yl)methyl]pyridin-2-one (CID 99791417) is 5-fluoro-1-[(4-methyl-1,3-thiazol-2-yl)methyl]pyridin-2-one.
What is the SMILES notation for 5-fluoro-1-[(4-methyl-1,3-thiazol-2-yl)methyl]pyridin-2-one?
The canonical SMILES for 5-fluoro-1-[(4-methyl-1,3-thiazol-2-yl)methyl]pyridin-2-one is Cc1csc(Cn2cc(F)ccc2=O)n1.
What is the InChIKey of 5-fluoro-1-[(4-methyl-1,3-thiazol-2-yl)methyl]pyridin-2-one?
The InChIKey is XTVHZGNTBXQMHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FN2OS/c1-7-6-15-9(12-7)5-13-4-8(11)2-3-10(13)14/h2-4,6H,5H2,1H3.
What are the key properties of 5-fluoro-1-[(4-methyl-1,3-thiazol-2-yl)methyl]pyridin-2-one?
5-fluoro-1-[(4-methyl-1,3-thiazol-2-yl)methyl]pyridin-2-one has a molecular weight of 224.26 g/mol, XLogP of 1.80, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1-[(4-methyl-1,3-thiazol-2-yl)methyl]pyridin-2-one is sourced from PubChem (CID 99791417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).