N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[1-[[6-(2,3-dihydroxypropylamino)pyrimidine-4-carbonyl]amino]ethyl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[1-[[6-(3-ethoxypropylamino)pyrimidine-4-carbonyl]amino]ethyl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[1-[[6-(3-morpholin-4-ylpropyl)pyrimidine-4-carbonyl]amino]ethyl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[1-[[6-(3-morpholin-4-ylprop-1-ynyl)pyrimidine-4-carbonyl]amino]ethyl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[1-[[6-(3-pyrrolidin-1-ylpropylamino)pyrimidine-4-carbonyl]amino]ethyl]-1,3-thiazole-5-carboxamide

C114H114Cl5F15N36O15S5 — CID 158353740

About N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[1-[[6-(2,3-dihydroxypropylamino)pyrimidine-4-carbonyl]amino]ethyl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[1-[[6-(3-ethoxypropylamino)pyrimidine-4-carbonyl]amino]ethyl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[1-[[6-(3-morpholin-4-ylpropyl)pyrimidine-4-carbonyl]amino]ethyl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[1-[[6-(3-morpholin-4-ylprop-1-ynyl)pyrimidine-4-carbonyl]amino]ethyl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[1-[[6-(3-pyrrolidin-1-ylpropylamino)pyrimidine-4-carbonyl]amino]ethyl]-1,3-thiazole-5-carboxamide

N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[1-[[6-(2,3-dihydroxypropylamino)pyrimidine-4-carbonyl]amino]ethyl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[1-[[6-(3-ethoxypropylamino)pyrimidine-4-carbonyl]amino]ethyl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[1-[[6-(3-morpholin-4-ylpropyl)pyrimidine-4-carbonyl]amino]ethyl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[1-[[6-(3-morpholin-4-ylprop-1-ynyl)pyrimidine-4-carbonyl]amino]ethyl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[1-[[6-(3-pyrrolidin-1-ylpropylamino)pyrimidine-4-carbonyl]amino]ethyl]-1,3-thiazole-5-carboxamide (PubChem CID 158353740) has the molecular formula C114H114Cl5F15N36O15S5 and a molecular weight of 2850.97 g/mol. Its IUPAC name is N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[1-[[6-(2,3-dihydroxypropylamino)pyrimidine-4-carbonyl]amino]ethyl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[1-[[6-(3-ethoxypropylamino)pyrimidine-4-carbonyl]amino]ethyl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[1-[[6-(3-morpholin-4-ylpropyl)pyrimidine-4-carbonyl]amino]ethyl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[1-[[6-(3-morpholin-4-ylprop-1-ynyl)pyrimidine-4-carbonyl]amino]ethyl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[1-[[6-(3-pyrrolidin-1-ylpropylamino)pyrimidine-4-carbonyl]amino]ethyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

• Compound Name: N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[1-[[6-(2,3-dihydroxypropylamino)pyrimidine-4-carbonyl]amino]ethyl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[1-[[6-(3-ethoxypropylamino)pyrimidine-4-carbonyl]amino]ethyl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[1-[[6-(3-morpholin-4-ylpropyl)pyrimidine-4-carbonyl]amino]ethyl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[1-[[6-(3-morpholin-4-ylprop-1-ynyl)pyrimidine-4-carbonyl]amino]ethyl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[1-[[6-(3-pyrrolidin-1-ylpropylamino)pyrimidine-4-carbonyl]amino]ethyl]-1,3-thiazole-5-carboxamide
• PubChem CID: 158353740
• Molecular Formula: C114H114Cl5F15N36O15S5
• Molecular Weight: 2850.97 g/mol
• Exact Mass: 2846.61
• IUPAC Name: N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[1-[[6-(2,3-dihydroxypropylamino)pyrimidine-4-carbonyl]amino]ethyl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[1-[[6-(3-ethoxypropylamino)pyrimidine-4-carbonyl]amino]ethyl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[1-[[6-(3-morpholin-4-ylpropyl)pyrimidine-4-carbonyl]amino]ethyl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[1-[[6-(3-morpholin-4-ylprop-1-ynyl)pyrimidine-4-carbonyl]amino]ethyl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[1-[[6-(3-pyrrolidin-1-ylpropylamino)pyrimidine-4-carbonyl]amino]ethyl]-1,3-thiazole-5-carboxamide
• SMILES: CC(NC(=O)c1cc(C#CCN2CCOCC2)ncn1)c1ncc(C(=O)Nc2cc(C(F)(F)F)c(Cl)cn2)s1.CC(NC(=O)c1cc(CCCN2CCOCC2)ncn1)c1ncc(C(=O)Nc2cc(C(F)(F)F)c(Cl)cn2)s1.CC(NC(=O)c1cc(NCC(O)CO)ncn1)c1ncc(C(=O)Nc2cc(C(F)(F)F)c(Cl)cn2)s1.CC(NC(=O)c1cc(NCCCN2CCCC2)ncn1)c1ncc(C(=O)Nc2cc(C(F)(F)F)c(Cl)cn2)s1.CCOCCCNc1cc(C(=O)NC(C)c2ncc(C(=O)Nc3cc(C(F)(F)F)c(Cl)cn3)s2)ncn1
• InChI: InChI=1S/C24H26ClF3N8O2S.C24H25ClF3N7O3S.C24H21ClF3N7O3S.C22H23ClF3N7O3S.C20H19ClF3N7O4S/c1-14(34-21(37)17-10-19(33-13-32-17)29-5-4-8-36-6-2-3-7-36)23-31-12-18(39-23)22(38)35-20-9-15(24(26,27)28)16(25)11-30-20;2*1-14(33-21(36)18-9-15(31-13-32-18)3-2-4-35-5-7-38-8-6-35)23-30-12-19(39-23)22(37)34-20-10-16(24(26,27)28)17(25)11-29-20;1-3-36-6-4-5-27-17-8-15(30-11-31-17)19(34)32-12(2)21-29-10-16(37-21)20(35)33-18-7-13(22(24,25)26)14(23)9-28-18;1-9(30-17(34)13-3-15(29-8-28-13)25-4-10(33)7-32)19-27-6-14(36-19)18(35)31-16-2-11(20(22,23)24)12(21)5-26-16/h9-14H,2-8H2,1H3,(H,34,37)(H,29,32,33)(H,30,35,38);9-14H,2-8H2,1H3,(H,33,36)(H,29,34,37);9-14H,4-8H2,1H3,(H,33,36)(H,29,34,37);7-12H,3-6H2,1-2H3,(H,32,34)(H,27,30,31)(H,28,33,35);2-3,5-6,8-10,32-33H,4,7H2,1H3,(H,30,34)(H,25,28,29)(H,26,31,35)
• InChIKey: GSQADJVOXXIPRT-UHFFFAOYSA-N
• XLogP: 19.17
• TPSA: 662.76 Ų
• H-Bond Donors: 15
• H-Bond Acceptors: 46
• Rotatable Bonds: 45
• Heavy Atoms: 190
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2850.97
LogP ≤ 5	19.17
H-Bond Donors ≤ 5	15
H-Bond Acceptors ≤ 10	46

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[1-[[6-(2,3-dihydroxypropylamino)pyrimidine-4-carbonyl]amino]ethyl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[1-[[6-(3-ethoxypropylamino)pyrimidine-4-carbonyl]amino]ethyl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[1-[[6-(3-morpholin-4-ylpropyl)pyrimidine-4-carbonyl]amino]ethyl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[1-[[6-(3-morpholin-4-ylprop-1-ynyl)pyrimidine-4-carbonyl]amino]ethyl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[1-[[6-(3-pyrrolidin-1-ylpropylamino)pyrimidine-4-carbonyl]amino]ethyl]-1,3-thiazole-5-carboxamide?

The IUPAC name of N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[1-[[6-(2,3-dihydroxypropylamino)pyrimidine-4-carbonyl]amino]ethyl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[1-[[6-(3-ethoxypropylamino)pyrimidine-4-carbonyl]amino]ethyl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[1-[[6-(3-morpholin-4-ylpropyl)pyrimidine-4-carbonyl]amino]ethyl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[1-[[6-(3-morpholin-4-ylprop-1-ynyl)pyrimidine-4-carbonyl]amino]ethyl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[1-[[6-(3-pyrrolidin-1-ylpropylamino)pyrimidine-4-carbonyl]amino]ethyl]-1,3-thiazole-5-carboxamide (CID 158353740) is N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[1-[[6-(2,3-dihydroxypropylamino)pyrimidine-4-carbonyl]amino]ethyl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[1-[[6-(3-ethoxypropylamino)pyrimidine-4-carbonyl]amino]ethyl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[1-[[6-(3-morpholin-4-ylpropyl)pyrimidine-4-carbonyl]amino]ethyl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[1-[[6-(3-morpholin-4-ylprop-1-ynyl)pyrimidine-4-carbonyl]amino]ethyl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[1-[[6-(3-pyrrolidin-1-ylpropylamino)pyrimidine-4-carbonyl]amino]ethyl]-1,3-thiazole-5-carboxamide.

What is the SMILES notation for N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[1-[[6-(2,3-dihydroxypropylamino)pyrimidine-4-carbonyl]amino]ethyl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[1-[[6-(3-ethoxypropylamino)pyrimidine-4-carbonyl]amino]ethyl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[1-[[6-(3-morpholin-4-ylpropyl)pyrimidine-4-carbonyl]amino]ethyl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[1-[[6-(3-morpholin-4-ylprop-1-ynyl)pyrimidine-4-carbonyl]amino]ethyl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[1-[[6-(3-pyrrolidin-1-ylpropylamino)pyrimidine-4-carbonyl]amino]ethyl]-1,3-thiazole-5-carboxamide?

The canonical SMILES for N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[1-[[6-(2,3-dihydroxypropylamino)pyrimidine-4-carbonyl]amino]ethyl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[1-[[6-(3-ethoxypropylamino)pyrimidine-4-carbonyl]amino]ethyl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[1-[[6-(3-morpholin-4-ylpropyl)pyrimidine-4-carbonyl]amino]ethyl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[1-[[6-(3-morpholin-4-ylprop-1-ynyl)pyrimidine-4-carbonyl]amino]ethyl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[1-[[6-(3-pyrrolidin-1-ylpropylamino)pyrimidine-4-carbonyl]amino]ethyl]-1,3-thiazole-5-carboxamide is CC(NC(=O)c1cc(C#CCN2CCOCC2)ncn1)c1ncc(C(=O)Nc2cc(C(F)(F)F)c(Cl)cn2)s1.CC(NC(=O)c1cc(CCCN2CCOCC2)ncn1)c1ncc(C(=O)Nc2cc(C(F)(F)F)c(Cl)cn2)s1.CC(NC(=O)c1cc(NCC(O)CO)ncn1)c1ncc(C(=O)Nc2cc(C(F)(F)F)c(Cl)cn2)s1.CC(NC(=O)c1cc(NCCCN2CCCC2)ncn1)c1ncc(C(=O)Nc2cc(C(F)(F)F)c(Cl)cn2)s1.CCOCCCNc1cc(C(=O)NC(C)c2ncc(C(=O)Nc3cc(C(F)(F)F)c(Cl)cn3)s2)ncn1.

What is the InChIKey of N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[1-[[6-(2,3-dihydroxypropylamino)pyrimidine-4-carbonyl]amino]ethyl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[1-[[6-(3-ethoxypropylamino)pyrimidine-4-carbonyl]amino]ethyl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[1-[[6-(3-morpholin-4-ylpropyl)pyrimidine-4-carbonyl]amino]ethyl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[1-[[6-(3-morpholin-4-ylprop-1-ynyl)pyrimidine-4-carbonyl]amino]ethyl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[1-[[6-(3-pyrrolidin-1-ylpropylamino)pyrimidine-4-carbonyl]amino]ethyl]-1,3-thiazole-5-carboxamide?

The InChIKey is GSQADJVOXXIPRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26ClF3N8O2S.C24H25ClF3N7O3S.C24H21ClF3N7O3S.C22H23ClF3N7O3S.C20H19ClF3N7O4S/c1-14(34-21(37)17-10-19(33-13-32-17)29-5-4-8-36-6-2-3-7-36)23-31-12-18(39-23)22(38)35-20-9-15(24(26,27)28)16(25)11-30-20;2*1-14(33-21(36)18-9-15(31-13-32-18)3-2-4-35-5-7-38-8-6-35)23-30-12-19(39-23)22(37)34-20-10-16(24(26,27)28)17(25)11-29-20;1-3-36-6-4-5-27-17-8-15(30-11-31-17)19(34)32-12(2)21-29-10-16(37-21)20(35)33-18-7-13(22(24,25)26)14(23)9-28-18;1-9(30-17(34)13-3-15(29-8-28-13)25-4-10(33)7-32)19-27-6-14(36-19)18(35)31-16-2-11(20(22,23)24)12(21)5-26-16/h9-14H,2-8H2,1H3,(H,34,37)(H,29,32,33)(H,30,35,38);9-14H,2-8H2,1H3,(H,33,36)(H,29,34,37);9-14H,4-8H2,1H3,(H,33,36)(H,29,34,37);7-12H,3-6H2,1-2H3,(H,32,34)(H,27,30,31)(H,28,33,35);2-3,5-6,8-10,32-33H,4,7H2,1H3,(H,30,34)(H,25,28,29)(H,26,31,35).

What are the key properties of N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[1-[[6-(2,3-dihydroxypropylamino)pyrimidine-4-carbonyl]amino]ethyl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[1-[[6-(3-ethoxypropylamino)pyrimidine-4-carbonyl]amino]ethyl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[1-[[6-(3-morpholin-4-ylpropyl)pyrimidine-4-carbonyl]amino]ethyl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[1-[[6-(3-morpholin-4-ylprop-1-ynyl)pyrimidine-4-carbonyl]amino]ethyl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[1-[[6-(3-pyrrolidin-1-ylpropylamino)pyrimidine-4-carbonyl]amino]ethyl]-1,3-thiazole-5-carboxamide?

N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[1-[[6-(2,3-dihydroxypropylamino)pyrimidine-4-carbonyl]amino]ethyl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[1-[[6-(3-ethoxypropylamino)pyrimidine-4-carbonyl]amino]ethyl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[1-[[6-(3-morpholin-4-ylpropyl)pyrimidine-4-carbonyl]amino]ethyl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[1-[[6-(3-morpholin-4-ylprop-1-ynyl)pyrimidine-4-carbonyl]amino]ethyl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[1-[[6-(3-pyrrolidin-1-ylpropylamino)pyrimidine-4-carbonyl]amino]ethyl]-1,3-thiazole-5-carboxamide has a molecular weight of 2850.97 g/mol, XLogP of 19.17, 45 rotatable bonds, 15 hydrogen bond donors, and 46 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[1-[[6-(2,3-dihydroxypropylamino)pyrimidine-4-carbonyl]amino]ethyl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[1-[[6-(3-ethoxypropylamino)pyrimidine-4-carbonyl]amino]ethyl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[1-[[6-(3-morpholin-4-ylpropyl)pyrimidine-4-carbonyl]amino]ethyl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[1-[[6-(3-morpholin-4-ylprop-1-ynyl)pyrimidine-4-carbonyl]amino]ethyl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[1-[[6-(3-pyrrolidin-1-ylpropylamino)pyrimidine-4-carbonyl]amino]ethyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 158353740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).