2-acetamido-N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-1,3-thiazole-5-carboxamide

C13H12F2N4O3S — CID 167587644

IUPAC2-acetamido-N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-1,3-thiazole-5-carboxamide
SMILESCC(=O)Nc1ncc(C(=O)Nc2cc(F)c(=O)n(CCF)c2)s1
InChIInChI=1S/C13H12F2N4O3S/c1-7(20)17-13-16-5-10(23-13)11(21)18-8-4-9(15)12(22)19(6-8)3-2-14/h4-6H,2-3H2,1H3,(H,18,21)(H,16,17,20)
InChIKeyHZVHKBJYGJLEFG-UHFFFAOYSA-N
MW342.33 g/mol
LogP1.62
Rot. Bonds5

About 2-acetamido-N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-1,3-thiazole-5-carboxamide

2-acetamido-N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-1,3-thiazole-5-carboxamide (PubChem CID 167587644) has the molecular formula C13H12F2N4O3S and a molecular weight of 342.33 g/mol. Its IUPAC name is 2-acetamido-N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-acetamido-N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-1,3-thiazole-5-carboxamide
PubChem CID167587644
Molecular FormulaC13H12F2N4O3S
Molecular Weight342.33 g/mol
Exact Mass342.06
IUPAC Name2-acetamido-N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-1,3-thiazole-5-carboxamide
SMILESCC(=O)Nc1ncc(C(=O)Nc2cc(F)c(=O)n(CCF)c2)s1
InChIInChI=1S/C13H12F2N4O3S/c1-7(20)17-13-16-5-10(23-13)11(21)18-8-4-9(15)12(22)19(6-8)3-2-14/h4-6H,2-3H2,1H3,(H,18,21)(H,16,17,20)
InChIKeyHZVHKBJYGJLEFG-UHFFFAOYSA-N
XLogP1.62
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.33
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-acetamido-N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-acetamido-N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-1,3-thiazole-5-carboxamide (CID 167587644) is 2-acetamido-N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-acetamido-N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-acetamido-N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-1,3-thiazole-5-carboxamide is CC(=O)Nc1ncc(C(=O)Nc2cc(F)c(=O)n(CCF)c2)s1.
What is the InChIKey of 2-acetamido-N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-1,3-thiazole-5-carboxamide?
The InChIKey is HZVHKBJYGJLEFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F2N4O3S/c1-7(20)17-13-16-5-10(23-13)11(21)18-8-4-9(15)12(22)19(6-8)3-2-14/h4-6H,2-3H2,1H3,(H,18,21)(H,16,17,20).
What are the key properties of 2-acetamido-N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-1,3-thiazole-5-carboxamide?
2-acetamido-N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-1,3-thiazole-5-carboxamide has a molecular weight of 342.33 g/mol, XLogP of 1.62, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 167587644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).