4-fluoro-N-methyl-N-[4-(2-oxo-1-pyridinyl)-1,3-thiazol-2-yl]benzamide

C16H12FN3O2S — CID 16661724

IUPAC4-fluoro-N-methyl-N-[4-(2-oxo-1-pyridinyl)-1,3-thiazol-2-yl]benzamide
SMILESCN(C(=O)c1ccc(F)cc1)c1nc(-n2ccccc2=O)cs1
InChIInChI=1S/C16H12FN3O2S/c1-19(15(22)11-5-7-12(17)8-6-11)16-18-13(10-23-16)20-9-3-2-4-14(20)21/h2-10H,1H3
InChIKeyOCWWHBRLUZGZRY-UHFFFAOYSA-N
MW329.36 g/mol
LogP2.71
Rot. Bonds3

About 4-fluoro-N-methyl-N-[4-(2-oxo-1-pyridinyl)-1,3-thiazol-2-yl]benzamide

4-fluoro-N-methyl-N-[4-(2-oxo-1-pyridinyl)-1,3-thiazol-2-yl]benzamide (PubChem CID 16661724) has the molecular formula C16H12FN3O2S and a molecular weight of 329.36 g/mol. Its IUPAC name is 4-fluoro-N-methyl-N-[4-(2-oxo-1-pyridinyl)-1,3-thiazol-2-yl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-methyl-N-[4-(2-oxo-1-pyridinyl)-1,3-thiazol-2-yl]benzamide
PubChem CID16661724
Molecular FormulaC16H12FN3O2S
Molecular Weight329.36 g/mol
Exact Mass329.06
IUPAC Name4-fluoro-N-methyl-N-[4-(2-oxo-1-pyridinyl)-1,3-thiazol-2-yl]benzamide
SMILESCN(C(=O)c1ccc(F)cc1)c1nc(-n2ccccc2=O)cs1
InChIInChI=1S/C16H12FN3O2S/c1-19(15(22)11-5-7-12(17)8-6-11)16-18-13(10-23-16)20-9-3-2-4-14(20)21/h2-10H,1H3
InChIKeyOCWWHBRLUZGZRY-UHFFFAOYSA-N
XLogP2.71
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-methyl-N-[4-(2-oxo-1-pyridinyl)-1,3-thiazol-2-yl]benzamide?
The IUPAC name of 4-fluoro-N-methyl-N-[4-(2-oxo-1-pyridinyl)-1,3-thiazol-2-yl]benzamide (CID 16661724) is 4-fluoro-N-methyl-N-[4-(2-oxo-1-pyridinyl)-1,3-thiazol-2-yl]benzamide.
What is the SMILES notation for 4-fluoro-N-methyl-N-[4-(2-oxo-1-pyridinyl)-1,3-thiazol-2-yl]benzamide?
The canonical SMILES for 4-fluoro-N-methyl-N-[4-(2-oxo-1-pyridinyl)-1,3-thiazol-2-yl]benzamide is CN(C(=O)c1ccc(F)cc1)c1nc(-n2ccccc2=O)cs1.
What is the InChIKey of 4-fluoro-N-methyl-N-[4-(2-oxo-1-pyridinyl)-1,3-thiazol-2-yl]benzamide?
The InChIKey is OCWWHBRLUZGZRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12FN3O2S/c1-19(15(22)11-5-7-12(17)8-6-11)16-18-13(10-23-16)20-9-3-2-4-14(20)21/h2-10H,1H3.
What are the key properties of 4-fluoro-N-methyl-N-[4-(2-oxo-1-pyridinyl)-1,3-thiazol-2-yl]benzamide?
4-fluoro-N-methyl-N-[4-(2-oxo-1-pyridinyl)-1,3-thiazol-2-yl]benzamide has a molecular weight of 329.36 g/mol, XLogP of 2.71, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-methyl-N-[4-(2-oxo-1-pyridinyl)-1,3-thiazol-2-yl]benzamide is sourced from PubChem (CID 16661724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).