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

C13H9FN2OS2 — CID 99831371

IUPAC5-fluoro-1-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]pyridin-2-one
SMILESO=c1ccc(F)cn1Cc1csc(-c2cccs2)n1
InChIInChI=1S/C13H9FN2OS2/c14-9-3-4-12(17)16(6-9)7-10-8-19-13(15-10)11-2-1-5-18-11/h1-6,8H,7H2
InChIKeyUZXIJGOAKBTEKR-UHFFFAOYSA-N
MW292.36 g/mol
LogP3.22
Rot. Bonds3

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

5-fluoro-1-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]pyridin-2-one (PubChem CID 99831371) has the molecular formula C13H9FN2OS2 and a molecular weight of 292.36 g/mol. Its IUPAC name is 5-fluoro-1-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]pyridin-2-one.

Molecular Properties

Compound Name5-fluoro-1-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]pyridin-2-one
PubChem CID99831371
Molecular FormulaC13H9FN2OS2
Molecular Weight292.36 g/mol
Exact Mass292.01
IUPAC Name5-fluoro-1-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]pyridin-2-one
SMILESO=c1ccc(F)cn1Cc1csc(-c2cccs2)n1
InChIInChI=1S/C13H9FN2OS2/c14-9-3-4-12(17)16(6-9)7-10-8-19-13(15-10)11-2-1-5-18-11/h1-6,8H,7H2
InChIKeyUZXIJGOAKBTEKR-UHFFFAOYSA-N
XLogP3.22
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]pyridin-2-one?
The IUPAC name of 5-fluoro-1-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]pyridin-2-one (CID 99831371) is 5-fluoro-1-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]pyridin-2-one.
What is the SMILES notation for 5-fluoro-1-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]pyridin-2-one?
The canonical SMILES for 5-fluoro-1-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]pyridin-2-one is O=c1ccc(F)cn1Cc1csc(-c2cccs2)n1.
What is the InChIKey of 5-fluoro-1-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]pyridin-2-one?
The InChIKey is UZXIJGOAKBTEKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9FN2OS2/c14-9-3-4-12(17)16(6-9)7-10-8-19-13(15-10)11-2-1-5-18-11/h1-6,8H,7H2.
What are the key properties of 5-fluoro-1-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]pyridin-2-one?
5-fluoro-1-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]pyridin-2-one has a molecular weight of 292.36 g/mol, XLogP of 3.22, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]pyridin-2-one is sourced from PubChem (CID 99831371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).