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

C12H12F2N4O2S — CID 167673559

IUPACN-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-2-(methylamino)-1,3-thiazole-5-carboxamide
SMILESCNc1ncc(C(=O)Nc2cc(F)c(=O)n(CCF)c2)s1
InChIInChI=1S/C12H12F2N4O2S/c1-15-12-16-5-9(21-12)10(19)17-7-4-8(14)11(20)18(6-7)3-2-13/h4-6H,2-3H2,1H3,(H,15,16)(H,17,19)
InChIKeyUMHBYUFGAQFZCS-UHFFFAOYSA-N
MW314.32 g/mol
LogP1.71
Rot. Bonds5

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

N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-2-(methylamino)-1,3-thiazole-5-carboxamide (PubChem CID 167673559) has the molecular formula C12H12F2N4O2S and a molecular weight of 314.32 g/mol. Its IUPAC name is N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-2-(methylamino)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-2-(methylamino)-1,3-thiazole-5-carboxamide
PubChem CID167673559
Molecular FormulaC12H12F2N4O2S
Molecular Weight314.32 g/mol
Exact Mass314.06
IUPAC NameN-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-2-(methylamino)-1,3-thiazole-5-carboxamide
SMILESCNc1ncc(C(=O)Nc2cc(F)c(=O)n(CCF)c2)s1
InChIInChI=1S/C12H12F2N4O2S/c1-15-12-16-5-9(21-12)10(19)17-7-4-8(14)11(20)18(6-7)3-2-13/h4-6H,2-3H2,1H3,(H,15,16)(H,17,19)
InChIKeyUMHBYUFGAQFZCS-UHFFFAOYSA-N
XLogP1.71
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.32
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-2-(methylamino)-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-2-(methylamino)-1,3-thiazole-5-carboxamide (CID 167673559) is N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-2-(methylamino)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-2-(methylamino)-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-2-(methylamino)-1,3-thiazole-5-carboxamide is CNc1ncc(C(=O)Nc2cc(F)c(=O)n(CCF)c2)s1.
What is the InChIKey of N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-2-(methylamino)-1,3-thiazole-5-carboxamide?
The InChIKey is UMHBYUFGAQFZCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F2N4O2S/c1-15-12-16-5-9(21-12)10(19)17-7-4-8(14)11(20)18(6-7)3-2-13/h4-6H,2-3H2,1H3,(H,15,16)(H,17,19).
What are the key properties of N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-2-(methylamino)-1,3-thiazole-5-carboxamide?
N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-2-(methylamino)-1,3-thiazole-5-carboxamide has a molecular weight of 314.32 g/mol, XLogP of 1.71, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-2-(methylamino)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 167673559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).