5-(4-fluorophenyl)-N-[4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]-2-methylsulfonyl-1,3-thiazole-4-carboxamide

C24H19FN4O5S2 — CID 71609222

IUPAC5-(4-fluorophenyl)-N-[4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]-2-methylsulfonyl-1,3-thiazole-4-carboxamide
SMILESCNC(=O)c1cc(Oc2ccc(NC(=O)c3nc(S(C)(=O)=O)sc3-c3ccc(F)cc3)cc2)ccn1
InChIInChI=1S/C24H19FN4O5S2/c1-26-22(30)19-13-18(11-12-27-19)34-17-9-7-16(8-10-17)28-23(31)20-21(14-3-5-15(25)6-4-14)35-24(29-20)36(2,32)33/h3-13H,1-2H3,(H,26,30)(H,28,31)
InChIKeyABPIZXOMYHSHJA-UHFFFAOYSA-N
MW526.57 g/mol
LogP4.15
Rot. Bonds7

About 5-(4-fluorophenyl)-N-[4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]-2-methylsulfonyl-1,3-thiazole-4-carboxamide

5-(4-fluorophenyl)-N-[4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]-2-methylsulfonyl-1,3-thiazole-4-carboxamide (PubChem CID 71609222) has the molecular formula C24H19FN4O5S2 and a molecular weight of 526.57 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-N-[4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]-2-methylsulfonyl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name5-(4-fluorophenyl)-N-[4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]-2-methylsulfonyl-1,3-thiazole-4-carboxamide
PubChem CID71609222
Molecular FormulaC24H19FN4O5S2
Molecular Weight526.57 g/mol
Exact Mass526.08
IUPAC Name5-(4-fluorophenyl)-N-[4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]-2-methylsulfonyl-1,3-thiazole-4-carboxamide
SMILESCNC(=O)c1cc(Oc2ccc(NC(=O)c3nc(S(C)(=O)=O)sc3-c3ccc(F)cc3)cc2)ccn1
InChIInChI=1S/C24H19FN4O5S2/c1-26-22(30)19-13-18(11-12-27-19)34-17-9-7-16(8-10-17)28-23(31)20-21(14-3-5-15(25)6-4-14)35-24(29-20)36(2,32)33/h3-13H,1-2H3,(H,26,30)(H,28,31)
InChIKeyABPIZXOMYHSHJA-UHFFFAOYSA-N
XLogP4.15
TPSA127.35 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500526.57
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-N-[4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]-2-methylsulfonyl-1,3-thiazole-4-carboxamide?
The IUPAC name of 5-(4-fluorophenyl)-N-[4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]-2-methylsulfonyl-1,3-thiazole-4-carboxamide (CID 71609222) is 5-(4-fluorophenyl)-N-[4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]-2-methylsulfonyl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 5-(4-fluorophenyl)-N-[4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]-2-methylsulfonyl-1,3-thiazole-4-carboxamide?
The canonical SMILES for 5-(4-fluorophenyl)-N-[4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]-2-methylsulfonyl-1,3-thiazole-4-carboxamide is CNC(=O)c1cc(Oc2ccc(NC(=O)c3nc(S(C)(=O)=O)sc3-c3ccc(F)cc3)cc2)ccn1.
What is the InChIKey of 5-(4-fluorophenyl)-N-[4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]-2-methylsulfonyl-1,3-thiazole-4-carboxamide?
The InChIKey is ABPIZXOMYHSHJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19FN4O5S2/c1-26-22(30)19-13-18(11-12-27-19)34-17-9-7-16(8-10-17)28-23(31)20-21(14-3-5-15(25)6-4-14)35-24(29-20)36(2,32)33/h3-13H,1-2H3,(H,26,30)(H,28,31).
What are the key properties of 5-(4-fluorophenyl)-N-[4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]-2-methylsulfonyl-1,3-thiazole-4-carboxamide?
5-(4-fluorophenyl)-N-[4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]-2-methylsulfonyl-1,3-thiazole-4-carboxamide has a molecular weight of 526.57 g/mol, XLogP of 4.15, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-N-[4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]-2-methylsulfonyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 71609222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).