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

C15H11FN4O2S — CID 59568533

IUPAC2-[(E)-2-[3-(5-fluoro-2-pyridinyl)-5-methyl-1,2-oxazol-4-yl]ethenyl]-1,3-thiazole-5-carboxamide
SMILESCc1onc(-c2ccc(F)cn2)c1/C=C/c1ncc(C(N)=O)s1
InChIInChI=1S/C15H11FN4O2S/c1-8-10(3-5-13-19-7-12(23-13)15(17)21)14(20-22-8)11-4-2-9(16)6-18-11/h2-7H,1H3,(H2,17,21)/b5-3+
InChIKeySPGMDQDULCIGBJ-HWKANZROSA-N
MW330.34 g/mol
LogP2.91
Rot. Bonds4

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

2-[(E)-2-[3-(5-fluoro-2-pyridinyl)-5-methyl-1,2-oxazol-4-yl]ethenyl]-1,3-thiazole-5-carboxamide (PubChem CID 59568533) has the molecular formula C15H11FN4O2S and a molecular weight of 330.34 g/mol. Its IUPAC name is 2-[(E)-2-[3-(5-fluoro-2-pyridinyl)-5-methyl-1,2-oxazol-4-yl]ethenyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-[(E)-2-[3-(5-fluoro-2-pyridinyl)-5-methyl-1,2-oxazol-4-yl]ethenyl]-1,3-thiazole-5-carboxamide
PubChem CID59568533
Molecular FormulaC15H11FN4O2S
Molecular Weight330.34 g/mol
Exact Mass330.06
IUPAC Name2-[(E)-2-[3-(5-fluoro-2-pyridinyl)-5-methyl-1,2-oxazol-4-yl]ethenyl]-1,3-thiazole-5-carboxamide
SMILESCc1onc(-c2ccc(F)cn2)c1/C=C/c1ncc(C(N)=O)s1
InChIInChI=1S/C15H11FN4O2S/c1-8-10(3-5-13-19-7-12(23-13)15(17)21)14(20-22-8)11-4-2-9(16)6-18-11/h2-7H,1H3,(H2,17,21)/b5-3+
InChIKeySPGMDQDULCIGBJ-HWKANZROSA-N
XLogP2.91
TPSA94.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.34
LogP ≤ 52.91
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]-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]-1,3-thiazole-5-carboxamide (CID 59568533) is 2-[(E)-2-[3-(5-fluoro-2-pyridinyl)-5-methyl-1,2-oxazol-4-yl]ethenyl]-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]-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]-1,3-thiazole-5-carboxamide is Cc1onc(-c2ccc(F)cn2)c1/C=C/c1ncc(C(N)=O)s1.
What is the InChIKey of 2-[(E)-2-[3-(5-fluoro-2-pyridinyl)-5-methyl-1,2-oxazol-4-yl]ethenyl]-1,3-thiazole-5-carboxamide?
The InChIKey is SPGMDQDULCIGBJ-HWKANZROSA-N. The full InChI is InChI=1S/C15H11FN4O2S/c1-8-10(3-5-13-19-7-12(23-13)15(17)21)14(20-22-8)11-4-2-9(16)6-18-11/h2-7H,1H3,(H2,17,21)/b5-3+.
What are the key properties of 2-[(E)-2-[3-(5-fluoro-2-pyridinyl)-5-methyl-1,2-oxazol-4-yl]ethenyl]-1,3-thiazole-5-carboxamide?
2-[(E)-2-[3-(5-fluoro-2-pyridinyl)-5-methyl-1,2-oxazol-4-yl]ethenyl]-1,3-thiazole-5-carboxamide has a molecular weight of 330.34 g/mol, XLogP of 2.91, 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]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 59568533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).