N-[6-[(5-fluoro-3-pyridinyl)oxy]pyrazin-2-yl]-1,3-thiazole-2-carboxamide

C13H8FN5O2S — CID 118707816

IUPACN-[6-[(5-fluoro-3-pyridinyl)oxy]pyrazin-2-yl]-1,3-thiazole-2-carboxamide
SMILESO=C(Nc1cncc(Oc2cncc(F)c2)n1)c1nccs1
InChIInChI=1S/C13H8FN5O2S/c14-8-3-9(5-15-4-8)21-11-7-16-6-10(18-11)19-12(20)13-17-1-2-22-13/h1-7H,(H,18,19,20)
InChIKeyQRYYXPZQFMMWIO-UHFFFAOYSA-N
MW317.31 g/mol
LogP2.51
Rot. Bonds4

About N-[6-[(5-fluoro-3-pyridinyl)oxy]pyrazin-2-yl]-1,3-thiazole-2-carboxamide

N-[6-[(5-fluoro-3-pyridinyl)oxy]pyrazin-2-yl]-1,3-thiazole-2-carboxamide (PubChem CID 118707816) has the molecular formula C13H8FN5O2S and a molecular weight of 317.31 g/mol. Its IUPAC name is N-[6-[(5-fluoro-3-pyridinyl)oxy]pyrazin-2-yl]-1,3-thiazole-2-carboxamide.

Molecular Properties

Compound NameN-[6-[(5-fluoro-3-pyridinyl)oxy]pyrazin-2-yl]-1,3-thiazole-2-carboxamide
PubChem CID118707816
Molecular FormulaC13H8FN5O2S
Molecular Weight317.31 g/mol
Exact Mass317.04
IUPAC NameN-[6-[(5-fluoro-3-pyridinyl)oxy]pyrazin-2-yl]-1,3-thiazole-2-carboxamide
SMILESO=C(Nc1cncc(Oc2cncc(F)c2)n1)c1nccs1
InChIInChI=1S/C13H8FN5O2S/c14-8-3-9(5-15-4-8)21-11-7-16-6-10(18-11)19-12(20)13-17-1-2-22-13/h1-7H,(H,18,19,20)
InChIKeyQRYYXPZQFMMWIO-UHFFFAOYSA-N
XLogP2.51
TPSA89.89 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.31
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[6-[(5-fluoro-3-pyridinyl)oxy]pyrazin-2-yl]-1,3-thiazole-2-carboxamide?
The IUPAC name of N-[6-[(5-fluoro-3-pyridinyl)oxy]pyrazin-2-yl]-1,3-thiazole-2-carboxamide (CID 118707816) is N-[6-[(5-fluoro-3-pyridinyl)oxy]pyrazin-2-yl]-1,3-thiazole-2-carboxamide.
What is the SMILES notation for N-[6-[(5-fluoro-3-pyridinyl)oxy]pyrazin-2-yl]-1,3-thiazole-2-carboxamide?
The canonical SMILES for N-[6-[(5-fluoro-3-pyridinyl)oxy]pyrazin-2-yl]-1,3-thiazole-2-carboxamide is O=C(Nc1cncc(Oc2cncc(F)c2)n1)c1nccs1.
What is the InChIKey of N-[6-[(5-fluoro-3-pyridinyl)oxy]pyrazin-2-yl]-1,3-thiazole-2-carboxamide?
The InChIKey is QRYYXPZQFMMWIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8FN5O2S/c14-8-3-9(5-15-4-8)21-11-7-16-6-10(18-11)19-12(20)13-17-1-2-22-13/h1-7H,(H,18,19,20).
What are the key properties of N-[6-[(5-fluoro-3-pyridinyl)oxy]pyrazin-2-yl]-1,3-thiazole-2-carboxamide?
N-[6-[(5-fluoro-3-pyridinyl)oxy]pyrazin-2-yl]-1,3-thiazole-2-carboxamide has a molecular weight of 317.31 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[(5-fluoro-3-pyridinyl)oxy]pyrazin-2-yl]-1,3-thiazole-2-carboxamide is sourced from PubChem (CID 118707816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).