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

C11H8F2N4O4S — CID 167532506

IUPACN-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-2-nitro-1,3-thiazole-5-carboxamide
SMILESO=C(Nc1cc(F)c(=O)n(CCF)c1)c1cnc([N+](=O)[O-])s1
InChIInChI=1S/C11H8F2N4O4S/c12-1-2-16-5-6(3-7(13)10(16)19)15-9(18)8-4-14-11(22-8)17(20)21/h3-5H,1-2H2,(H,15,18)
InChIKeyMKFZBYUZMZMIGI-UHFFFAOYSA-N
MW330.27 g/mol
LogP1.57
Rot. Bonds5

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

N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-2-nitro-1,3-thiazole-5-carboxamide (PubChem CID 167532506) has the molecular formula C11H8F2N4O4S and a molecular weight of 330.27 g/mol. Its IUPAC name is N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-2-nitro-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-2-nitro-1,3-thiazole-5-carboxamide
PubChem CID167532506
Molecular FormulaC11H8F2N4O4S
Molecular Weight330.27 g/mol
Exact Mass330.02
IUPAC NameN-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-2-nitro-1,3-thiazole-5-carboxamide
SMILESO=C(Nc1cc(F)c(=O)n(CCF)c1)c1cnc([N+](=O)[O-])s1
InChIInChI=1S/C11H8F2N4O4S/c12-1-2-16-5-6(3-7(13)10(16)19)15-9(18)8-4-14-11(22-8)17(20)21/h3-5H,1-2H2,(H,15,18)
InChIKeyMKFZBYUZMZMIGI-UHFFFAOYSA-N
XLogP1.57
TPSA107.13 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.27
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-2-nitro-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-2-nitro-1,3-thiazole-5-carboxamide (CID 167532506) is N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-2-nitro-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-2-nitro-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-2-nitro-1,3-thiazole-5-carboxamide is O=C(Nc1cc(F)c(=O)n(CCF)c1)c1cnc([N+](=O)[O-])s1.
What is the InChIKey of N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-2-nitro-1,3-thiazole-5-carboxamide?
The InChIKey is MKFZBYUZMZMIGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F2N4O4S/c12-1-2-16-5-6(3-7(13)10(16)19)15-9(18)8-4-14-11(22-8)17(20)21/h3-5H,1-2H2,(H,15,18).
What are the key properties of N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-2-nitro-1,3-thiazole-5-carboxamide?
N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-2-nitro-1,3-thiazole-5-carboxamide has a molecular weight of 330.27 g/mol, XLogP of 1.57, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-2-nitro-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 167532506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).