2-[(E)-2-[3-(5-fluoro-2-pyridinyl)-5-methyl-1,2-oxazol-4-yl]ethenyl]-N-methyl-1,3-thiazole-5-carboxamide

C16H13FN4O2S — CID 59568517

IUPAC2-[(E)-2-[3-(5-fluoro-2-pyridinyl)-5-methyl-1,2-oxazol-4-yl]ethenyl]-N-methyl-1,3-thiazole-5-carboxamide
SMILESCNC(=O)c1cnc(/C=C/c2c(-c3ccc(F)cn3)noc2C)s1
InChIInChI=1S/C16H13FN4O2S/c1-9-11(4-6-14-20-8-13(24-14)16(22)18-2)15(21-23-9)12-5-3-10(17)7-19-12/h3-8H,1-2H3,(H,18,22)/b6-4+
InChIKeyPEUAVAXAQYQJJK-GQCTYLIASA-N
MW344.37 g/mol
LogP3.17
Rot. Bonds4

About 2-[(E)-2-[3-(5-fluoro-2-pyridinyl)-5-methyl-1,2-oxazol-4-yl]ethenyl]-N-methyl-1,3-thiazole-5-carboxamide

2-[(E)-2-[3-(5-fluoro-2-pyridinyl)-5-methyl-1,2-oxazol-4-yl]ethenyl]-N-methyl-1,3-thiazole-5-carboxamide (PubChem CID 59568517) has the molecular formula C16H13FN4O2S and a molecular weight of 344.37 g/mol. Its IUPAC name is 2-[(E)-2-[3-(5-fluoro-2-pyridinyl)-5-methyl-1,2-oxazol-4-yl]ethenyl]-N-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-[(E)-2-[3-(5-fluoro-2-pyridinyl)-5-methyl-1,2-oxazol-4-yl]ethenyl]-N-methyl-1,3-thiazole-5-carboxamide
PubChem CID59568517
Molecular FormulaC16H13FN4O2S
Molecular Weight344.37 g/mol
Exact Mass344.07
IUPAC Name2-[(E)-2-[3-(5-fluoro-2-pyridinyl)-5-methyl-1,2-oxazol-4-yl]ethenyl]-N-methyl-1,3-thiazole-5-carboxamide
SMILESCNC(=O)c1cnc(/C=C/c2c(-c3ccc(F)cn3)noc2C)s1
InChIInChI=1S/C16H13FN4O2S/c1-9-11(4-6-14-20-8-13(24-14)16(22)18-2)15(21-23-9)12-5-3-10(17)7-19-12/h3-8H,1-2H3,(H,18,22)/b6-4+
InChIKeyPEUAVAXAQYQJJK-GQCTYLIASA-N
XLogP3.17
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.37
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-[3-(5-fluoro-2-pyridinyl)-5-methyl-1,2-oxazol-4-yl]ethenyl]-N-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-[(E)-2-[3-(5-fluoro-2-pyridinyl)-5-methyl-1,2-oxazol-4-yl]ethenyl]-N-methyl-1,3-thiazole-5-carboxamide (CID 59568517) is 2-[(E)-2-[3-(5-fluoro-2-pyridinyl)-5-methyl-1,2-oxazol-4-yl]ethenyl]-N-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-[(E)-2-[3-(5-fluoro-2-pyridinyl)-5-methyl-1,2-oxazol-4-yl]ethenyl]-N-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-[(E)-2-[3-(5-fluoro-2-pyridinyl)-5-methyl-1,2-oxazol-4-yl]ethenyl]-N-methyl-1,3-thiazole-5-carboxamide is CNC(=O)c1cnc(/C=C/c2c(-c3ccc(F)cn3)noc2C)s1.
What is the InChIKey of 2-[(E)-2-[3-(5-fluoro-2-pyridinyl)-5-methyl-1,2-oxazol-4-yl]ethenyl]-N-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is PEUAVAXAQYQJJK-GQCTYLIASA-N. The full InChI is InChI=1S/C16H13FN4O2S/c1-9-11(4-6-14-20-8-13(24-14)16(22)18-2)15(21-23-9)12-5-3-10(17)7-19-12/h3-8H,1-2H3,(H,18,22)/b6-4+.
What are the key properties of 2-[(E)-2-[3-(5-fluoro-2-pyridinyl)-5-methyl-1,2-oxazol-4-yl]ethenyl]-N-methyl-1,3-thiazole-5-carboxamide?
2-[(E)-2-[3-(5-fluoro-2-pyridinyl)-5-methyl-1,2-oxazol-4-yl]ethenyl]-N-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 344.37 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-[3-(5-fluoro-2-pyridinyl)-5-methyl-1,2-oxazol-4-yl]ethenyl]-N-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 59568517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).