5-(4-fluorophenyl)-N-[4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]-2-[methyl(methylidene)-λ4-sulfanyl]-1,3-thiazole-4-carboxamide;5-(4-fluorophenyl)-N-[4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]-2-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]-1,3-thiazole-4-carboxamide;5-(4-fluorophenyl)-N-[4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]-2-methylsulfanyl-1,3-thiazole-4-carboxamide;5-(4-fluorophenyl)-N-[4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]-2-methylsulfonyl-1,3-thiazole-4-carboxamide;5-(4-fluorophenyl)-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]-2-methylsulfonyl-1,3-thiazole-4-carboxamide

C125H102F5N23O18S10 — CID 159175326

About 5-(4-fluorophenyl)-N-[4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]-2-[methyl(methylidene)-λ4-sulfanyl]-1,3-thiazole-4-carboxamide;5-(4-fluorophenyl)-N-[4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]-2-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]-1,3-thiazole-4-carboxamide;5-(4-fluorophenyl)-N-[4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]-2-methylsulfanyl-1,3-thiazole-4-carboxamide;5-(4-fluorophenyl)-N-[4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]-2-methylsulfonyl-1,3-thiazole-4-carboxamide;5-(4-fluorophenyl)-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]-2-methylsulfonyl-1,3-thiazole-4-carboxamide

5-(4-fluorophenyl)-N-[4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]-2-[methyl(methylidene)-λ4-sulfanyl]-1,3-thiazole-4-carboxamide;5-(4-fluorophenyl)-N-[4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]-2-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]-1,3-thiazole-4-carboxamide;5-(4-fluorophenyl)-N-[4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]-2-methylsulfanyl-1,3-thiazole-4-carboxamide;5-(4-fluorophenyl)-N-[4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]-2-methylsulfonyl-1,3-thiazole-4-carboxamide;5-(4-fluorophenyl)-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]-2-methylsulfonyl-1,3-thiazole-4-carboxamide (PubChem CID 159175326) has the molecular formula C125H102F5N23O18S10 and a molecular weight of 2629.99 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-N-[4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]-2-[methyl(methylidene)-λ4-sulfanyl]-1,3-thiazole-4-carboxamide;5-(4-fluorophenyl)-N-[4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]-2-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]-1,3-thiazole-4-carboxamide;5-(4-fluorophenyl)-N-[4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]-2-methylsulfanyl-1,3-thiazole-4-carboxamide;5-(4-fluorophenyl)-N-[4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]-2-methylsulfonyl-1,3-thiazole-4-carboxamide;5-(4-fluorophenyl)-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]-2-methylsulfonyl-1,3-thiazole-4-carboxamide.

Molecular Properties

• Compound Name: 5-(4-fluorophenyl)-N-[4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]-2-[methyl(methylidene)-λ4-sulfanyl]-1,3-thiazole-4-carboxamide;5-(4-fluorophenyl)-N-[4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]-2-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]-1,3-thiazole-4-carboxamide;5-(4-fluorophenyl)-N-[4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]-2-methylsulfanyl-1,3-thiazole-4-carboxamide;5-(4-fluorophenyl)-N-[4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]-2-methylsulfonyl-1,3-thiazole-4-carboxamide;5-(4-fluorophenyl)-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]-2-methylsulfonyl-1,3-thiazole-4-carboxamide
• PubChem CID: 159175326
• Molecular Formula: C125H102F5N23O18S10
• Molecular Weight: 2629.99 g/mol
• Exact Mass: 2627.49
• IUPAC Name: 5-(4-fluorophenyl)-N-[4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]-2-[methyl(methylidene)-λ4-sulfanyl]-1,3-thiazole-4-carboxamide;5-(4-fluorophenyl)-N-[4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]-2-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]-1,3-thiazole-4-carboxamide;5-(4-fluorophenyl)-N-[4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]-2-methylsulfanyl-1,3-thiazole-4-carboxamide;5-(4-fluorophenyl)-N-[4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]-2-methylsulfonyl-1,3-thiazole-4-carboxamide;5-(4-fluorophenyl)-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]-2-methylsulfonyl-1,3-thiazole-4-carboxamide
• SMILES: C=S(C)(=O)Nc1nc(C(=O)Nc2ccc(Oc3ccnc(C(=O)NC)c3)cc2)c(-c2ccc(F)cc2)s1.C=S(C)c1nc(C(=O)Nc2ccc(Oc3ccnc(C(=O)NC)c3)cc2)c(-c2ccc(F)cc2)s1.CNC(=O)c1cc(Oc2ccc(NC(=O)c3nc(S(C)(=O)=O)sc3-c3ccc(F)cc3)cc2)ccn1.CNC(=O)c1cc(Oc2ccc(NC(=O)c3nc(SC)sc3-c3ccc(F)cc3)cc2)ccn1.Cc1ccc(NC(=O)c2nc(S(C)(=O)=O)sc2-c2ccc(F)cc2)cc1Nc1nccc(-c2cccnc2)n1
• InChI: InChI=1S/C27H21FN6O3S2.C25H22FN5O4S2.C25H21FN4O3S2.C24H19FN4O5S2.C24H19FN4O3S2/c1-16-5-10-20(14-22(16)33-26-30-13-11-21(32-26)18-4-3-12-29-15-18)31-25(35)23-24(17-6-8-19(28)9-7-17)38-27(34-23)39(2,36)37;1-27-23(32)20-14-19(12-13-28-20)35-18-10-8-17(9-11-18)29-24(33)21-22(15-4-6-16(26)7-5-15)36-25(30-21)31-37(2,3)34;1-27-23(31)20-14-19(12-13-28-20)33-18-10-8-17(9-11-18)29-24(32)21-22(34-25(30-21)35(2)3)15-4-6-16(26)7-5-15;1-26-22(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;1-26-22(30)19-13-18(11-12-27-19)32-17-9-7-16(8-10-17)28-23(31)20-21(34-24(29-20)33-2)14-3-5-15(25)6-4-14/h3-15H,1-2H3,(H,31,35)(H,30,32,33);4-14H,2H2,1,3H3,(H,27,32)(H,29,33)(H,30,31,34);4-14H,2H2,1,3H3,(H,27,31)(H,29,32);3-13H,1-2H3,(H,26,30)(H,28,31);3-13H,1-2H3,(H,26,30)(H,28,31)
• InChIKey: KMEXAIHQVGEYPI-UHFFFAOYSA-N
• XLogP: 24.99
• TPSA: 562.91 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 37
• Rotatable Bonds: 36
• Heavy Atoms: 181
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2629.99
LogP ≤ 5	24.99
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	37

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-N-[4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]-2-[methyl(methylidene)-λ4-sulfanyl]-1,3-thiazole-4-carboxamide;5-(4-fluorophenyl)-N-[4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]-2-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]-1,3-thiazole-4-carboxamide;5-(4-fluorophenyl)-N-[4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]-2-methylsulfanyl-1,3-thiazole-4-carboxamide;5-(4-fluorophenyl)-N-[4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]-2-methylsulfonyl-1,3-thiazole-4-carboxamide;5-(4-fluorophenyl)-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]-2-methylsulfonyl-1,3-thiazole-4-carboxamide?

The IUPAC name of 5-(4-fluorophenyl)-N-[4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]-2-[methyl(methylidene)-λ4-sulfanyl]-1,3-thiazole-4-carboxamide;5-(4-fluorophenyl)-N-[4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]-2-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]-1,3-thiazole-4-carboxamide;5-(4-fluorophenyl)-N-[4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]-2-methylsulfanyl-1,3-thiazole-4-carboxamide;5-(4-fluorophenyl)-N-[4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]-2-methylsulfonyl-1,3-thiazole-4-carboxamide;5-(4-fluorophenyl)-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]-2-methylsulfonyl-1,3-thiazole-4-carboxamide (CID 159175326) is 5-(4-fluorophenyl)-N-[4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]-2-[methyl(methylidene)-λ4-sulfanyl]-1,3-thiazole-4-carboxamide;5-(4-fluorophenyl)-N-[4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]-2-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]-1,3-thiazole-4-carboxamide;5-(4-fluorophenyl)-N-[4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]-2-methylsulfanyl-1,3-thiazole-4-carboxamide;5-(4-fluorophenyl)-N-[4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]-2-methylsulfonyl-1,3-thiazole-4-carboxamide;5-(4-fluorophenyl)-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]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-[methyl(methylidene)-λ4-sulfanyl]-1,3-thiazole-4-carboxamide;5-(4-fluorophenyl)-N-[4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]-2-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]-1,3-thiazole-4-carboxamide;5-(4-fluorophenyl)-N-[4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]-2-methylsulfanyl-1,3-thiazole-4-carboxamide;5-(4-fluorophenyl)-N-[4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]-2-methylsulfonyl-1,3-thiazole-4-carboxamide;5-(4-fluorophenyl)-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]-2-methylsulfonyl-1,3-thiazole-4-carboxamide?

The canonical SMILES for 5-(4-fluorophenyl)-N-[4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]-2-[methyl(methylidene)-λ4-sulfanyl]-1,3-thiazole-4-carboxamide;5-(4-fluorophenyl)-N-[4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]-2-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]-1,3-thiazole-4-carboxamide;5-(4-fluorophenyl)-N-[4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]-2-methylsulfanyl-1,3-thiazole-4-carboxamide;5-(4-fluorophenyl)-N-[4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]-2-methylsulfonyl-1,3-thiazole-4-carboxamide;5-(4-fluorophenyl)-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]-2-methylsulfonyl-1,3-thiazole-4-carboxamide is C=S(C)(=O)Nc1nc(C(=O)Nc2ccc(Oc3ccnc(C(=O)NC)c3)cc2)c(-c2ccc(F)cc2)s1.C=S(C)c1nc(C(=O)Nc2ccc(Oc3ccnc(C(=O)NC)c3)cc2)c(-c2ccc(F)cc2)s1.CNC(=O)c1cc(Oc2ccc(NC(=O)c3nc(S(C)(=O)=O)sc3-c3ccc(F)cc3)cc2)ccn1.CNC(=O)c1cc(Oc2ccc(NC(=O)c3nc(SC)sc3-c3ccc(F)cc3)cc2)ccn1.Cc1ccc(NC(=O)c2nc(S(C)(=O)=O)sc2-c2ccc(F)cc2)cc1Nc1nccc(-c2cccnc2)n1.

What is the InChIKey of 5-(4-fluorophenyl)-N-[4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]-2-[methyl(methylidene)-λ4-sulfanyl]-1,3-thiazole-4-carboxamide;5-(4-fluorophenyl)-N-[4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]-2-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]-1,3-thiazole-4-carboxamide;5-(4-fluorophenyl)-N-[4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]-2-methylsulfanyl-1,3-thiazole-4-carboxamide;5-(4-fluorophenyl)-N-[4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]-2-methylsulfonyl-1,3-thiazole-4-carboxamide;5-(4-fluorophenyl)-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]-2-methylsulfonyl-1,3-thiazole-4-carboxamide?

The InChIKey is KMEXAIHQVGEYPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H21FN6O3S2.C25H22FN5O4S2.C25H21FN4O3S2.C24H19FN4O5S2.C24H19FN4O3S2/c1-16-5-10-20(14-22(16)33-26-30-13-11-21(32-26)18-4-3-12-29-15-18)31-25(35)23-24(17-6-8-19(28)9-7-17)38-27(34-23)39(2,36)37;1-27-23(32)20-14-19(12-13-28-20)35-18-10-8-17(9-11-18)29-24(33)21-22(15-4-6-16(26)7-5-15)36-25(30-21)31-37(2,3)34;1-27-23(31)20-14-19(12-13-28-20)33-18-10-8-17(9-11-18)29-24(32)21-22(34-25(30-21)35(2)3)15-4-6-16(26)7-5-15;1-26-22(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;1-26-22(30)19-13-18(11-12-27-19)32-17-9-7-16(8-10-17)28-23(31)20-21(34-24(29-20)33-2)14-3-5-15(25)6-4-14/h3-15H,1-2H3,(H,31,35)(H,30,32,33);4-14H,2H2,1,3H3,(H,27,32)(H,29,33)(H,30,31,34);4-14H,2H2,1,3H3,(H,27,31)(H,29,32);3-13H,1-2H3,(H,26,30)(H,28,31);3-13H,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-[methyl(methylidene)-λ4-sulfanyl]-1,3-thiazole-4-carboxamide;5-(4-fluorophenyl)-N-[4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]-2-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]-1,3-thiazole-4-carboxamide;5-(4-fluorophenyl)-N-[4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]-2-methylsulfanyl-1,3-thiazole-4-carboxamide;5-(4-fluorophenyl)-N-[4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]-2-methylsulfonyl-1,3-thiazole-4-carboxamide;5-(4-fluorophenyl)-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]-2-methylsulfonyl-1,3-thiazole-4-carboxamide?

5-(4-fluorophenyl)-N-[4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]-2-[methyl(methylidene)-λ4-sulfanyl]-1,3-thiazole-4-carboxamide;5-(4-fluorophenyl)-N-[4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]-2-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]-1,3-thiazole-4-carboxamide;5-(4-fluorophenyl)-N-[4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]-2-methylsulfanyl-1,3-thiazole-4-carboxamide;5-(4-fluorophenyl)-N-[4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]-2-methylsulfonyl-1,3-thiazole-4-carboxamide;5-(4-fluorophenyl)-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]-2-methylsulfonyl-1,3-thiazole-4-carboxamide has a molecular weight of 2629.99 g/mol, XLogP of 24.99, 36 rotatable bonds, 11 hydrogen bond donors, and 37 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(4-fluorophenyl)-N-[4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]-2-[methyl(methylidene)-λ4-sulfanyl]-1,3-thiazole-4-carboxamide;5-(4-fluorophenyl)-N-[4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]-2-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]-1,3-thiazole-4-carboxamide;5-(4-fluorophenyl)-N-[4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]-2-methylsulfanyl-1,3-thiazole-4-carboxamide;5-(4-fluorophenyl)-N-[4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]-2-methylsulfonyl-1,3-thiazole-4-carboxamide;5-(4-fluorophenyl)-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]-2-methylsulfonyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 159175326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).