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

C15H16FN3O2S — CID 4799453

IUPAC2-fluoro-N-[3-methyl-1-oxo-1-(1,3-thiazol-2-ylamino)butan-2-yl]benzamide
SMILESCC(C)C(NC(=O)c1ccccc1F)C(=O)Nc1nccs1
InChIInChI=1S/C15H16FN3O2S/c1-9(2)12(14(21)19-15-17-7-8-22-15)18-13(20)10-5-3-4-6-11(10)16/h3-9,12H,1-2H3,(H,18,20)(H,17,19,21)
InChIKeyJZPUWFBJAXZFTR-UHFFFAOYSA-N
MW321.38 g/mol
LogP2.68
Rot. Bonds5

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

2-fluoro-N-[3-methyl-1-oxo-1-(1,3-thiazol-2-ylamino)butan-2-yl]benzamide (PubChem CID 4799453) has the molecular formula C15H16FN3O2S and a molecular weight of 321.38 g/mol. Its IUPAC name is 2-fluoro-N-[3-methyl-1-oxo-1-(1,3-thiazol-2-ylamino)butan-2-yl]benzamide.

Molecular Properties

Compound Name2-fluoro-N-[3-methyl-1-oxo-1-(1,3-thiazol-2-ylamino)butan-2-yl]benzamide
PubChem CID4799453
Molecular FormulaC15H16FN3O2S
Molecular Weight321.38 g/mol
Exact Mass321.09
IUPAC Name2-fluoro-N-[3-methyl-1-oxo-1-(1,3-thiazol-2-ylamino)butan-2-yl]benzamide
SMILESCC(C)C(NC(=O)c1ccccc1F)C(=O)Nc1nccs1
InChIInChI=1S/C15H16FN3O2S/c1-9(2)12(14(21)19-15-17-7-8-22-15)18-13(20)10-5-3-4-6-11(10)16/h3-9,12H,1-2H3,(H,18,20)(H,17,19,21)
InChIKeyJZPUWFBJAXZFTR-UHFFFAOYSA-N
XLogP2.68
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[3-methyl-1-oxo-1-(1,3-thiazol-2-ylamino)butan-2-yl]benzamide?
The IUPAC name of 2-fluoro-N-[3-methyl-1-oxo-1-(1,3-thiazol-2-ylamino)butan-2-yl]benzamide (CID 4799453) is 2-fluoro-N-[3-methyl-1-oxo-1-(1,3-thiazol-2-ylamino)butan-2-yl]benzamide.
What is the SMILES notation for 2-fluoro-N-[3-methyl-1-oxo-1-(1,3-thiazol-2-ylamino)butan-2-yl]benzamide?
The canonical SMILES for 2-fluoro-N-[3-methyl-1-oxo-1-(1,3-thiazol-2-ylamino)butan-2-yl]benzamide is CC(C)C(NC(=O)c1ccccc1F)C(=O)Nc1nccs1.
What is the InChIKey of 2-fluoro-N-[3-methyl-1-oxo-1-(1,3-thiazol-2-ylamino)butan-2-yl]benzamide?
The InChIKey is JZPUWFBJAXZFTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN3O2S/c1-9(2)12(14(21)19-15-17-7-8-22-15)18-13(20)10-5-3-4-6-11(10)16/h3-9,12H,1-2H3,(H,18,20)(H,17,19,21).
What are the key properties of 2-fluoro-N-[3-methyl-1-oxo-1-(1,3-thiazol-2-ylamino)butan-2-yl]benzamide?
2-fluoro-N-[3-methyl-1-oxo-1-(1,3-thiazol-2-ylamino)butan-2-yl]benzamide has a molecular weight of 321.38 g/mol, XLogP of 2.68, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[3-methyl-1-oxo-1-(1,3-thiazol-2-ylamino)butan-2-yl]benzamide is sourced from PubChem (CID 4799453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).