2-[[[6-(2-aminoethylamino)-5-chloropyrimidine-4-carbonyl]amino]methyl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-[3-[5-bromo-6-[2-(dimethylamino)ethylamino]pyrimidin-4-yl]-3-oxopropyl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-[[[6-(6-chloro-3-pyridinyl)pyrimidine-4-carbonyl]amino]methyl]-N-[4-chloro-3-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide;N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[3-oxo-3-[6-(1H-pyrazol-4-yl)pyrimidin-4-yl]propyl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[(2S)-4-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide

C104H79BrCl7F15N34O10S5 — CID 157229483

About 2-[[[6-(2-aminoethylamino)-5-chloropyrimidine-4-carbonyl]amino]methyl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-[3-[5-bromo-6-[2-(dimethylamino)ethylamino]pyrimidin-4-yl]-3-oxopropyl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-[[[6-(6-chloro-3-pyridinyl)pyrimidine-4-carbonyl]amino]methyl]-N-[4-chloro-3-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide;N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[3-oxo-3-[6-(1H-pyrazol-4-yl)pyrimidin-4-yl]propyl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[(2S)-4-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide

2-[[[6-(2-aminoethylamino)-5-chloropyrimidine-4-carbonyl]amino]methyl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-[3-[5-bromo-6-[2-(dimethylamino)ethylamino]pyrimidin-4-yl]-3-oxopropyl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-[[[6-(6-chloro-3-pyridinyl)pyrimidine-4-carbonyl]amino]methyl]-N-[4-chloro-3-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide;N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[3-oxo-3-[6-(1H-pyrazol-4-yl)pyrimidin-4-yl]propyl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[(2S)-4-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide (PubChem CID 157229483) has the molecular formula C104H79BrCl7F15N34O10S5 and a molecular weight of 2738.38 g/mol. Its IUPAC name is 2-[[[6-(2-aminoethylamino)-5-chloropyrimidine-4-carbonyl]amino]methyl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-[3-[5-bromo-6-[2-(dimethylamino)ethylamino]pyrimidin-4-yl]-3-oxopropyl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-[[[6-(6-chloro-3-pyridinyl)pyrimidine-4-carbonyl]amino]methyl]-N-[4-chloro-3-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide;N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[3-oxo-3-[6-(1H-pyrazol-4-yl)pyrimidin-4-yl]propyl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[(2S)-4-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide.

Molecular Properties

• Compound Name: 2-[[[6-(2-aminoethylamino)-5-chloropyrimidine-4-carbonyl]amino]methyl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-[3-[5-bromo-6-[2-(dimethylamino)ethylamino]pyrimidin-4-yl]-3-oxopropyl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-[[[6-(6-chloro-3-pyridinyl)pyrimidine-4-carbonyl]amino]methyl]-N-[4-chloro-3-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide;N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[3-oxo-3-[6-(1H-pyrazol-4-yl)pyrimidin-4-yl]propyl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[(2S)-4-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide
• PubChem CID: 157229483
• Molecular Formula: C104H79BrCl7F15N34O10S5
• Molecular Weight: 2738.38 g/mol
• Exact Mass: 2732.21
• IUPAC Name: 2-[[[6-(2-aminoethylamino)-5-chloropyrimidine-4-carbonyl]amino]methyl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-[3-[5-bromo-6-[2-(dimethylamino)ethylamino]pyrimidin-4-yl]-3-oxopropyl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-[[[6-(6-chloro-3-pyridinyl)pyrimidine-4-carbonyl]amino]methyl]-N-[4-chloro-3-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide;N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[3-oxo-3-[6-(1H-pyrazol-4-yl)pyrimidin-4-yl]propyl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[(2S)-4-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide
• SMILES: CN(C)CCNc1ncnc(C(=O)CCc2ncc(C(=O)Nc3cc(C(F)(F)F)c(Cl)cn3)s2)c1Br.Cc1nccn1-c1cc(C(=O)C[C@H](C)c2ncc(C(=O)Nc3cc(C(F)(F)F)c(Cl)cn3)s2)ncn1.NCCNc1ncnc(C(=O)NCc2ncc(C(=O)Nc3cc(C(F)(F)F)c(Cl)cn3)s2)c1Cl.O=C(CCc1ncc(C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)s1)c1cc(-c2cn[nH]c2)ncn1.O=C(NCc1ncc(C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)s1)c1cc(-c2ccc(Cl)nc2)ncn1
• InChI: InChI=1S/C22H13Cl2F3N6O2S.C22H17ClF3N7O2S.C21H20BrClF3N7O2S.C21H14ClF3N6O2S.C18H15Cl2F3N8O2S/c23-14-3-2-12(5-13(14)22(25,26)27)33-21(35)17-8-29-19(36-17)9-30-20(34)16-6-15(31-10-32-16)11-1-4-18(24)28-7-11;1-11(5-16(34)15-7-19(31-10-30-15)33-4-3-27-12(33)2)21-29-9-17(36-21)20(35)32-18-6-13(22(24,25)26)14(23)8-28-18;1-33(2)6-5-27-19-17(22)18(30-10-31-19)13(34)3-4-16-29-9-14(36-16)20(35)32-15-7-11(21(24,25)26)12(23)8-28-15;22-14-2-1-12(5-13(14)21(23,24)25)31-20(33)18-9-26-19(34-18)4-3-17(32)16-6-15(27-10-28-16)11-7-29-30-8-11;19-9-4-26-11(3-8(9)18(21,22)23)31-16(32)10-5-27-12(34-10)6-28-17(33)14-13(20)15(25-2-1-24)30-7-29-14/h1-8,10H,9H2,(H,30,34)(H,33,35);3-4,6-11H,5H2,1-2H3,(H,28,32,35);7-10H,3-6H2,1-2H3,(H,27,30,31)(H,28,32,35);1-2,5-10H,3-4H2,(H,29,30)(H,31,33);3-5,7H,1-2,6,24H2,(H,28,33)(H,25,29,30)(H,26,31,32)/t;11-;;;/m.0.../s1
• InChIKey: ATXZOUZZXCMKJA-BHADXYMWSA-N
• XLogP: 23.70
• TPSA: 599.64 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 41
• Rotatable Bonds: 38
• Heavy Atoms: 176
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2738.38
LogP ≤ 5	23.70
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	41

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[[[6-(2-aminoethylamino)-5-chloropyrimidine-4-carbonyl]amino]methyl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-[3-[5-bromo-6-[2-(dimethylamino)ethylamino]pyrimidin-4-yl]-3-oxopropyl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-[[[6-(6-chloro-3-pyridinyl)pyrimidine-4-carbonyl]amino]methyl]-N-[4-chloro-3-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide;N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[3-oxo-3-[6-(1H-pyrazol-4-yl)pyrimidin-4-yl]propyl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[(2S)-4-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide?

The IUPAC name of 2-[[[6-(2-aminoethylamino)-5-chloropyrimidine-4-carbonyl]amino]methyl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-[3-[5-bromo-6-[2-(dimethylamino)ethylamino]pyrimidin-4-yl]-3-oxopropyl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-[[[6-(6-chloro-3-pyridinyl)pyrimidine-4-carbonyl]amino]methyl]-N-[4-chloro-3-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide;N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[3-oxo-3-[6-(1H-pyrazol-4-yl)pyrimidin-4-yl]propyl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[(2S)-4-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide (CID 157229483) is 2-[[[6-(2-aminoethylamino)-5-chloropyrimidine-4-carbonyl]amino]methyl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-[3-[5-bromo-6-[2-(dimethylamino)ethylamino]pyrimidin-4-yl]-3-oxopropyl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-[[[6-(6-chloro-3-pyridinyl)pyrimidine-4-carbonyl]amino]methyl]-N-[4-chloro-3-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide;N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[3-oxo-3-[6-(1H-pyrazol-4-yl)pyrimidin-4-yl]propyl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[(2S)-4-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide.

What is the SMILES notation for 2-[[[6-(2-aminoethylamino)-5-chloropyrimidine-4-carbonyl]amino]methyl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-[3-[5-bromo-6-[2-(dimethylamino)ethylamino]pyrimidin-4-yl]-3-oxopropyl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-[[[6-(6-chloro-3-pyridinyl)pyrimidine-4-carbonyl]amino]methyl]-N-[4-chloro-3-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide;N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[3-oxo-3-[6-(1H-pyrazol-4-yl)pyrimidin-4-yl]propyl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[(2S)-4-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide?

The canonical SMILES for 2-[[[6-(2-aminoethylamino)-5-chloropyrimidine-4-carbonyl]amino]methyl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-[3-[5-bromo-6-[2-(dimethylamino)ethylamino]pyrimidin-4-yl]-3-oxopropyl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-[[[6-(6-chloro-3-pyridinyl)pyrimidine-4-carbonyl]amino]methyl]-N-[4-chloro-3-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide;N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[3-oxo-3-[6-(1H-pyrazol-4-yl)pyrimidin-4-yl]propyl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[(2S)-4-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide is CN(C)CCNc1ncnc(C(=O)CCc2ncc(C(=O)Nc3cc(C(F)(F)F)c(Cl)cn3)s2)c1Br.Cc1nccn1-c1cc(C(=O)C[C@H](C)c2ncc(C(=O)Nc3cc(C(F)(F)F)c(Cl)cn3)s2)ncn1.NCCNc1ncnc(C(=O)NCc2ncc(C(=O)Nc3cc(C(F)(F)F)c(Cl)cn3)s2)c1Cl.O=C(CCc1ncc(C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)s1)c1cc(-c2cn[nH]c2)ncn1.O=C(NCc1ncc(C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)s1)c1cc(-c2ccc(Cl)nc2)ncn1.

What is the InChIKey of 2-[[[6-(2-aminoethylamino)-5-chloropyrimidine-4-carbonyl]amino]methyl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-[3-[5-bromo-6-[2-(dimethylamino)ethylamino]pyrimidin-4-yl]-3-oxopropyl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-[[[6-(6-chloro-3-pyridinyl)pyrimidine-4-carbonyl]amino]methyl]-N-[4-chloro-3-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide;N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[3-oxo-3-[6-(1H-pyrazol-4-yl)pyrimidin-4-yl]propyl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[(2S)-4-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide?

The InChIKey is ATXZOUZZXCMKJA-BHADXYMWSA-N. The full InChI is InChI=1S/C22H13Cl2F3N6O2S.C22H17ClF3N7O2S.C21H20BrClF3N7O2S.C21H14ClF3N6O2S.C18H15Cl2F3N8O2S/c23-14-3-2-12(5-13(14)22(25,26)27)33-21(35)17-8-29-19(36-17)9-30-20(34)16-6-15(31-10-32-16)11-1-4-18(24)28-7-11;1-11(5-16(34)15-7-19(31-10-30-15)33-4-3-27-12(33)2)21-29-9-17(36-21)20(35)32-18-6-13(22(24,25)26)14(23)8-28-18;1-33(2)6-5-27-19-17(22)18(30-10-31-19)13(34)3-4-16-29-9-14(36-16)20(35)32-15-7-11(21(24,25)26)12(23)8-28-15;22-14-2-1-12(5-13(14)21(23,24)25)31-20(33)18-9-26-19(34-18)4-3-17(32)16-6-15(27-10-28-16)11-7-29-30-8-11;19-9-4-26-11(3-8(9)18(21,22)23)31-16(32)10-5-27-12(34-10)6-28-17(33)14-13(20)15(25-2-1-24)30-7-29-14/h1-8,10H,9H2,(H,30,34)(H,33,35);3-4,6-11H,5H2,1-2H3,(H,28,32,35);7-10H,3-6H2,1-2H3,(H,27,30,31)(H,28,32,35);1-2,5-10H,3-4H2,(H,29,30)(H,31,33);3-5,7H,1-2,6,24H2,(H,28,33)(H,25,29,30)(H,26,31,32)/t;11-;;;/m.0.../s1.

What are the key properties of 2-[[[6-(2-aminoethylamino)-5-chloropyrimidine-4-carbonyl]amino]methyl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-[3-[5-bromo-6-[2-(dimethylamino)ethylamino]pyrimidin-4-yl]-3-oxopropyl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-[[[6-(6-chloro-3-pyridinyl)pyrimidine-4-carbonyl]amino]methyl]-N-[4-chloro-3-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide;N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[3-oxo-3-[6-(1H-pyrazol-4-yl)pyrimidin-4-yl]propyl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[(2S)-4-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide?

2-[[[6-(2-aminoethylamino)-5-chloropyrimidine-4-carbonyl]amino]methyl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-[3-[5-bromo-6-[2-(dimethylamino)ethylamino]pyrimidin-4-yl]-3-oxopropyl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-[[[6-(6-chloro-3-pyridinyl)pyrimidine-4-carbonyl]amino]methyl]-N-[4-chloro-3-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide;N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[3-oxo-3-[6-(1H-pyrazol-4-yl)pyrimidin-4-yl]propyl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[(2S)-4-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide has a molecular weight of 2738.38 g/mol, XLogP of 23.70, 38 rotatable bonds, 11 hydrogen bond donors, and 41 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[[6-(2-aminoethylamino)-5-chloropyrimidine-4-carbonyl]amino]methyl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-[3-[5-bromo-6-[2-(dimethylamino)ethylamino]pyrimidin-4-yl]-3-oxopropyl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-[[[6-(6-chloro-3-pyridinyl)pyrimidine-4-carbonyl]amino]methyl]-N-[4-chloro-3-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide;N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[3-oxo-3-[6-(1H-pyrazol-4-yl)pyrimidin-4-yl]propyl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[(2S)-4-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 157229483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).