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

C12H11F2N3O2S — CID 167582426

IUPACN-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-2-methyl-1,3-thiazole-5-carboxamide
SMILESCc1ncc(C(=O)Nc2cc(F)c(=O)n(CCF)c2)s1
InChIInChI=1S/C12H11F2N3O2S/c1-7-15-5-10(20-7)11(18)16-8-4-9(14)12(19)17(6-8)3-2-13/h4-6H,2-3H2,1H3,(H,16,18)
InChIKeyHIUOMXQMDRVMIL-UHFFFAOYSA-N
MW299.30 g/mol
LogP1.97
Rot. Bonds4

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

N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-2-methyl-1,3-thiazole-5-carboxamide (PubChem CID 167582426) has the molecular formula C12H11F2N3O2S and a molecular weight of 299.30 g/mol. Its IUPAC name is N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-2-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-2-methyl-1,3-thiazole-5-carboxamide
PubChem CID167582426
Molecular FormulaC12H11F2N3O2S
Molecular Weight299.30 g/mol
Exact Mass299.05
IUPAC NameN-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-2-methyl-1,3-thiazole-5-carboxamide
SMILESCc1ncc(C(=O)Nc2cc(F)c(=O)n(CCF)c2)s1
InChIInChI=1S/C12H11F2N3O2S/c1-7-15-5-10(20-7)11(18)16-8-4-9(14)12(19)17(6-8)3-2-13/h4-6H,2-3H2,1H3,(H,16,18)
InChIKeyHIUOMXQMDRVMIL-UHFFFAOYSA-N
XLogP1.97
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.30
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-2-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-2-methyl-1,3-thiazole-5-carboxamide (CID 167582426) is N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-2-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-2-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-2-methyl-1,3-thiazole-5-carboxamide is Cc1ncc(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-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is HIUOMXQMDRVMIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F2N3O2S/c1-7-15-5-10(20-7)11(18)16-8-4-9(14)12(19)17(6-8)3-2-13/h4-6H,2-3H2,1H3,(H,16,18).
What are the key properties of N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-2-methyl-1,3-thiazole-5-carboxamide?
N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-2-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 299.30 g/mol, XLogP of 1.97, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-2-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 167582426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).