N-(3-cyano-5-pyridin-3-yloxyphenyl)-3-methylbenzamide;N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-1,3-thiazole-2-carboxamide;N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-1,3-thiazole-4-carboxamide;2-methyl-N-(3-pyridin-3-yloxyphenyl)-1,3-thiazole-4-carboxamide;4-methyl-N-(3-pyridin-3-yloxyphenyl)-1,3-thiazole-2-carboxamide

C80H59F2N17O10S4 — CID 160836749

About N-(3-cyano-5-pyridin-3-yloxyphenyl)-3-methylbenzamide;N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-1,3-thiazole-2-carboxamide;N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-1,3-thiazole-4-carboxamide;2-methyl-N-(3-pyridin-3-yloxyphenyl)-1,3-thiazole-4-carboxamide;4-methyl-N-(3-pyridin-3-yloxyphenyl)-1,3-thiazole-2-carboxamide

N-(3-cyano-5-pyridin-3-yloxyphenyl)-3-methylbenzamide;N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-1,3-thiazole-2-carboxamide;N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-1,3-thiazole-4-carboxamide;2-methyl-N-(3-pyridin-3-yloxyphenyl)-1,3-thiazole-4-carboxamide;4-methyl-N-(3-pyridin-3-yloxyphenyl)-1,3-thiazole-2-carboxamide (PubChem CID 160836749) has the molecular formula C80H59F2N17O10S4 and a molecular weight of 1584.72 g/mol. Its IUPAC name is N-(3-cyano-5-pyridin-3-yloxyphenyl)-3-methylbenzamide;N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-1,3-thiazole-2-carboxamide;N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-1,3-thiazole-4-carboxamide;2-methyl-N-(3-pyridin-3-yloxyphenyl)-1,3-thiazole-4-carboxamide;4-methyl-N-(3-pyridin-3-yloxyphenyl)-1,3-thiazole-2-carboxamide.

Molecular Properties

• Compound Name: N-(3-cyano-5-pyridin-3-yloxyphenyl)-3-methylbenzamide;N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-1,3-thiazole-2-carboxamide;N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-1,3-thiazole-4-carboxamide;2-methyl-N-(3-pyridin-3-yloxyphenyl)-1,3-thiazole-4-carboxamide;4-methyl-N-(3-pyridin-3-yloxyphenyl)-1,3-thiazole-2-carboxamide
• PubChem CID: 160836749
• Molecular Formula: C80H59F2N17O10S4
• Molecular Weight: 1584.72 g/mol
• Exact Mass: 1583.35
• IUPAC Name: N-(3-cyano-5-pyridin-3-yloxyphenyl)-3-methylbenzamide;N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-1,3-thiazole-2-carboxamide;N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-1,3-thiazole-4-carboxamide;2-methyl-N-(3-pyridin-3-yloxyphenyl)-1,3-thiazole-4-carboxamide;4-methyl-N-(3-pyridin-3-yloxyphenyl)-1,3-thiazole-2-carboxamide
• SMILES: Cc1cccc(C(=O)Nc2cc(C#N)cc(Oc3cccnc3)c2)c1.Cc1csc(C(=O)Nc2cccc(Oc3cccnc3)c2)n1.Cc1nc(C(=O)Nc2cccc(Oc3cccnc3)c2)cs1.O=C(Nc1cc(F)cc(Oc2cncnc2)c1)c1cscn1.O=C(Nc1cc(F)cc(Oc2cncnc2)c1)c1nccs1
• InChI: InChI=1S/C20H15N3O2.2C16H13N3O2S.2C14H9FN4O2S/c1-14-4-2-5-16(8-14)20(24)23-17-9-15(12-21)10-19(11-17)25-18-6-3-7-22-13-18;1-11-18-15(10-22-11)16(20)19-12-4-2-5-13(8-12)21-14-6-3-7-17-9-14;1-11-10-22-16(18-11)15(20)19-12-4-2-5-13(8-12)21-14-6-3-7-17-9-14;15-9-1-10(19-14(20)13-6-22-8-18-13)3-11(2-9)21-12-4-16-7-17-5-12;15-9-3-10(19-13(20)14-18-1-2-22-14)5-11(4-9)21-12-6-16-8-17-7-12/h2-11,13H,1H3,(H,23,24);2*2-10H,1H3,(H,19,20);2*1-8H,(H,19,20)
• InChIKey: SHMUUZZNGRIYCI-UHFFFAOYSA-N
• XLogP: 18.32
• TPSA: 357.23 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 26
• Rotatable Bonds: 20
• Heavy Atoms: 113
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1584.72
LogP ≤ 5	18.32
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	26

Frequently Asked Questions

What is the IUPAC name of N-(3-cyano-5-pyridin-3-yloxyphenyl)-3-methylbenzamide;N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-1,3-thiazole-2-carboxamide;N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-1,3-thiazole-4-carboxamide;2-methyl-N-(3-pyridin-3-yloxyphenyl)-1,3-thiazole-4-carboxamide;4-methyl-N-(3-pyridin-3-yloxyphenyl)-1,3-thiazole-2-carboxamide?

The IUPAC name of N-(3-cyano-5-pyridin-3-yloxyphenyl)-3-methylbenzamide;N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-1,3-thiazole-2-carboxamide;N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-1,3-thiazole-4-carboxamide;2-methyl-N-(3-pyridin-3-yloxyphenyl)-1,3-thiazole-4-carboxamide;4-methyl-N-(3-pyridin-3-yloxyphenyl)-1,3-thiazole-2-carboxamide (CID 160836749) is N-(3-cyano-5-pyridin-3-yloxyphenyl)-3-methylbenzamide;N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-1,3-thiazole-2-carboxamide;N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-1,3-thiazole-4-carboxamide;2-methyl-N-(3-pyridin-3-yloxyphenyl)-1,3-thiazole-4-carboxamide;4-methyl-N-(3-pyridin-3-yloxyphenyl)-1,3-thiazole-2-carboxamide.

What is the SMILES notation for N-(3-cyano-5-pyridin-3-yloxyphenyl)-3-methylbenzamide;N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-1,3-thiazole-2-carboxamide;N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-1,3-thiazole-4-carboxamide;2-methyl-N-(3-pyridin-3-yloxyphenyl)-1,3-thiazole-4-carboxamide;4-methyl-N-(3-pyridin-3-yloxyphenyl)-1,3-thiazole-2-carboxamide?

The canonical SMILES for N-(3-cyano-5-pyridin-3-yloxyphenyl)-3-methylbenzamide;N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-1,3-thiazole-2-carboxamide;N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-1,3-thiazole-4-carboxamide;2-methyl-N-(3-pyridin-3-yloxyphenyl)-1,3-thiazole-4-carboxamide;4-methyl-N-(3-pyridin-3-yloxyphenyl)-1,3-thiazole-2-carboxamide is Cc1cccc(C(=O)Nc2cc(C#N)cc(Oc3cccnc3)c2)c1.Cc1csc(C(=O)Nc2cccc(Oc3cccnc3)c2)n1.Cc1nc(C(=O)Nc2cccc(Oc3cccnc3)c2)cs1.O=C(Nc1cc(F)cc(Oc2cncnc2)c1)c1cscn1.O=C(Nc1cc(F)cc(Oc2cncnc2)c1)c1nccs1.

What is the InChIKey of N-(3-cyano-5-pyridin-3-yloxyphenyl)-3-methylbenzamide;N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-1,3-thiazole-2-carboxamide;N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-1,3-thiazole-4-carboxamide;2-methyl-N-(3-pyridin-3-yloxyphenyl)-1,3-thiazole-4-carboxamide;4-methyl-N-(3-pyridin-3-yloxyphenyl)-1,3-thiazole-2-carboxamide?

The InChIKey is SHMUUZZNGRIYCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N3O2.2C16H13N3O2S.2C14H9FN4O2S/c1-14-4-2-5-16(8-14)20(24)23-17-9-15(12-21)10-19(11-17)25-18-6-3-7-22-13-18;1-11-18-15(10-22-11)16(20)19-12-4-2-5-13(8-12)21-14-6-3-7-17-9-14;1-11-10-22-16(18-11)15(20)19-12-4-2-5-13(8-12)21-14-6-3-7-17-9-14;15-9-1-10(19-14(20)13-6-22-8-18-13)3-11(2-9)21-12-4-16-7-17-5-12;15-9-3-10(19-13(20)14-18-1-2-22-14)5-11(4-9)21-12-6-16-8-17-7-12/h2-11,13H,1H3,(H,23,24);2*2-10H,1H3,(H,19,20);2*1-8H,(H,19,20).

What are the key properties of N-(3-cyano-5-pyridin-3-yloxyphenyl)-3-methylbenzamide;N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-1,3-thiazole-2-carboxamide;N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-1,3-thiazole-4-carboxamide;2-methyl-N-(3-pyridin-3-yloxyphenyl)-1,3-thiazole-4-carboxamide;4-methyl-N-(3-pyridin-3-yloxyphenyl)-1,3-thiazole-2-carboxamide?

N-(3-cyano-5-pyridin-3-yloxyphenyl)-3-methylbenzamide;N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-1,3-thiazole-2-carboxamide;N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-1,3-thiazole-4-carboxamide;2-methyl-N-(3-pyridin-3-yloxyphenyl)-1,3-thiazole-4-carboxamide;4-methyl-N-(3-pyridin-3-yloxyphenyl)-1,3-thiazole-2-carboxamide has a molecular weight of 1584.72 g/mol, XLogP of 18.32, 20 rotatable bonds, 5 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3-cyano-5-pyridin-3-yloxyphenyl)-3-methylbenzamide;N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-1,3-thiazole-2-carboxamide;N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-1,3-thiazole-4-carboxamide;2-methyl-N-(3-pyridin-3-yloxyphenyl)-1,3-thiazole-4-carboxamide;4-methyl-N-(3-pyridin-3-yloxyphenyl)-1,3-thiazole-2-carboxamide is sourced from PubChem (CID 160836749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).