2-[4-(6-acetamido-5-chloropyrimidin-4-yl)-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-[4-[6-[(2-aminoacetyl)amino]-5-chloropyrimidin-4-yl]-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-[4-[6-[(2-amino-2-oxoethyl)amino]pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-[4-[6-[(3-amino-3-oxopropyl)amino]pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-[4-[5-chloro-6-(methanesulfonamido)pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[4-[6-(3-ethoxypropylamino)pyrimidin-4-yl]-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide

C123H106Cl9F18N39O19S7 — CID 158494705

IUPAC2-[4-(6-acetamido-5-chloropyrimidin-4-yl)-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-[4-[6-[(2-aminoacetyl)amino]-5-chloropyrimidin-4-yl]-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-[4-[6-[(2-amino-2-oxoethyl)amino]pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-[4-[6-[(3-amino-3-oxopropyl)amino]pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-[4-[5-chloro-6-(methanesulfonamido)pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[4-[6-(3-ethoxypropylamino)pyrimidin-4-yl]-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide
SMILESCC(=O)Nc1ncnc(C(=O)CC(C)c2ncc(C(=O)Nc3cc(C(F)(F)F)c(Cl)cn3)s2)c1Cl.CC(CC(=O)c1cc(NCC(N)=O)ncn1)c1ncc(C(=O)Nc2cc(C(F)(F)F)c(Cl)cn2)s1.CC(CC(=O)c1cc(NCCC(N)=O)ncn1)c1ncc(C(=O)Nc2cc(C(F)(F)F)c(Cl)cn2)s1.CC(CC(=O)c1ncnc(NC(=O)CN)c1Cl)c1ncc(C(=O)Nc2cc(C(F)(F)F)c(Cl)cn2)s1.CC(CC(=O)c1ncnc(NS(C)(=O)=O)c1Cl)c1ncc(C(=O)Nc2cc(C(F)(F)F)c(Cl)cn2)s1.CCOCCCNc1cc(C(=O)CC(C)c2ncc(C(=O)Nc3cc(C(F)(F)F)c(Cl)cn3)s2)ncn1
InChIInChI=1S/C23H24ClF3N6O3S.C21H19ClF3N7O3S.C20H16Cl2F3N7O3S.C20H15Cl2F3N6O3S.C20H17ClF3N7O3S.C19H15Cl2F3N6O4S2/c1-3-36-6-4-5-28-19-9-16(31-12-32-19)17(34)7-13(2)22-30-11-18(37-22)21(35)33-20-8-14(23(25,26)27)15(24)10-29-20;1-10(4-14(33)13-6-17(31-9-30-13)27-3-2-16(26)34)20-29-8-15(36-20)19(35)32-18-5-11(21(23,24)25)12(22)7-28-18;1-8(2-11(33)16-15(22)17(30-7-29-16)32-14(34)4-26)19-28-6-12(36-19)18(35)31-13-3-9(20(23,24)25)10(21)5-27-13;1-8(3-12(33)16-15(22)17(29-7-28-16)30-9(2)32)19-27-6-13(35-19)18(34)31-14-4-10(20(23,24)25)11(21)5-26-14;1-9(2-13(32)12-4-16(30-8-29-12)27-7-15(25)33)19-28-6-14(35-19)18(34)31-17-3-10(20(22,23)24)11(21)5-26-17;1-8(3-11(31)15-14(21)16(28-7-27-15)30-36(2,33)34)18-26-6-12(35-18)17(32)29-13-4-9(19(22,23)24)10(20)5-25-13/h8-13H,3-7H2,1-2H3,(H,28,31,32)(H,29,33,35);5-10H,2-4H2,1H3,(H2,26,34)(H,27,30,31)(H,28,32,35);3,5-8H,2,4,26H2,1H3,(H,27,31,35)(H,29,30,32,34);4-8H,3H2,1-2H3,(H,26,31,34)(H,28,29,30,32);3-6,8-9H,2,7H2,1H3,(H2,25,33)(H,26,31,34)(H,27,29,30);4-8H,3H2,1-2H3,(H,25,29,32)(H,27,28,30)
InChIKeyHJDDNLHAZWQFNY-UHFFFAOYSA-N
MW3319.96 g/mol
LogP26.98
Rot. Bonds54

About 2-[4-(6-acetamido-5-chloropyrimidin-4-yl)-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-[4-[6-[(2-aminoacetyl)amino]-5-chloropyrimidin-4-yl]-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-[4-[6-[(2-amino-2-oxoethyl)amino]pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-[4-[6-[(3-amino-3-oxopropyl)amino]pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-[4-[5-chloro-6-(methanesulfonamido)pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[4-[6-(3-ethoxypropylamino)pyrimidin-4-yl]-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide

2-[4-(6-acetamido-5-chloropyrimidin-4-yl)-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-[4-[6-[(2-aminoacetyl)amino]-5-chloropyrimidin-4-yl]-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-[4-[6-[(2-amino-2-oxoethyl)amino]pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-[4-[6-[(3-amino-3-oxopropyl)amino]pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-[4-[5-chloro-6-(methanesulfonamido)pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[4-[6-(3-ethoxypropylamino)pyrimidin-4-yl]-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide (PubChem CID 158494705) has the molecular formula C123H106Cl9F18N39O19S7 and a molecular weight of 3319.96 g/mol. Its IUPAC name is 2-[4-(6-acetamido-5-chloropyrimidin-4-yl)-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-[4-[6-[(2-aminoacetyl)amino]-5-chloropyrimidin-4-yl]-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-[4-[6-[(2-amino-2-oxoethyl)amino]pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-[4-[6-[(3-amino-3-oxopropyl)amino]pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-[4-[5-chloro-6-(methanesulfonamido)pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[4-[6-(3-ethoxypropylamino)pyrimidin-4-yl]-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-[4-(6-acetamido-5-chloropyrimidin-4-yl)-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-[4-[6-[(2-aminoacetyl)amino]-5-chloropyrimidin-4-yl]-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-[4-[6-[(2-amino-2-oxoethyl)amino]pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-[4-[6-[(3-amino-3-oxopropyl)amino]pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-[4-[5-chloro-6-(methanesulfonamido)pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[4-[6-(3-ethoxypropylamino)pyrimidin-4-yl]-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide
PubChem CID158494705
Molecular FormulaC123H106Cl9F18N39O19S7
Molecular Weight3319.96 g/mol
Exact Mass3313.35
IUPAC Name2-[4-(6-acetamido-5-chloropyrimidin-4-yl)-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-[4-[6-[(2-aminoacetyl)amino]-5-chloropyrimidin-4-yl]-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-[4-[6-[(2-amino-2-oxoethyl)amino]pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-[4-[6-[(3-amino-3-oxopropyl)amino]pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-[4-[5-chloro-6-(methanesulfonamido)pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[4-[6-(3-ethoxypropylamino)pyrimidin-4-yl]-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide
SMILESCC(=O)Nc1ncnc(C(=O)CC(C)c2ncc(C(=O)Nc3cc(C(F)(F)F)c(Cl)cn3)s2)c1Cl.CC(CC(=O)c1cc(NCC(N)=O)ncn1)c1ncc(C(=O)Nc2cc(C(F)(F)F)c(Cl)cn2)s1.CC(CC(=O)c1cc(NCCC(N)=O)ncn1)c1ncc(C(=O)Nc2cc(C(F)(F)F)c(Cl)cn2)s1.CC(CC(=O)c1ncnc(NC(=O)CN)c1Cl)c1ncc(C(=O)Nc2cc(C(F)(F)F)c(Cl)cn2)s1.CC(CC(=O)c1ncnc(NS(C)(=O)=O)c1Cl)c1ncc(C(=O)Nc2cc(C(F)(F)F)c(Cl)cn2)s1.CCOCCCNc1cc(C(=O)CC(C)c2ncc(C(=O)Nc3cc(C(F)(F)F)c(Cl)cn3)s2)ncn1
InChIInChI=1S/C23H24ClF3N6O3S.C21H19ClF3N7O3S.C20H16Cl2F3N7O3S.C20H15Cl2F3N6O3S.C20H17ClF3N7O3S.C19H15Cl2F3N6O4S2/c1-3-36-6-4-5-28-19-9-16(31-12-32-19)17(34)7-13(2)22-30-11-18(37-22)21(35)33-20-8-14(23(25,26)27)15(24)10-29-20;1-10(4-14(33)13-6-17(31-9-30-13)27-3-2-16(26)34)20-29-8-15(36-20)19(35)32-18-5-11(21(23,24)25)12(22)7-28-18;1-8(2-11(33)16-15(22)17(30-7-29-16)32-14(34)4-26)19-28-6-12(36-19)18(35)31-13-3-9(20(23,24)25)10(21)5-27-13;1-8(3-12(33)16-15(22)17(29-7-28-16)30-9(2)32)19-27-6-13(35-19)18(34)31-14-4-10(20(23,24)25)11(21)5-26-14;1-9(2-13(32)12-4-16(30-8-29-12)27-7-15(25)33)19-28-6-14(35-19)18(34)31-17-3-10(20(22,23)24)11(21)5-26-17;1-8(3-11(31)15-14(21)16(28-7-27-15)30-36(2,33)34)18-26-6-12(35-18)17(32)29-13-4-9(19(22,23)24)10(20)5-25-13/h8-13H,3-7H2,1-2H3,(H,28,31,32)(H,29,33,35);5-10H,2-4H2,1H3,(H2,26,34)(H,27,30,31)(H,28,32,35);3,5-8H,2,4,26H2,1H3,(H,27,31,35)(H,29,30,32,34);4-8H,3H2,1-2H3,(H,26,31,34)(H,28,29,30,32);3-6,8-9H,2,7H2,1H3,(H2,25,33)(H,26,31,34)(H,27,29,30);4-8H,3H2,1-2H3,(H,25,29,32)(H,27,28,30)
InChIKeyHJDDNLHAZWQFNY-UHFFFAOYSA-N
XLogP26.98
TPSA848.27 Ų
H-Bond Donors15
H-Bond Acceptors53
Rotatable Bonds54
Heavy Atoms215
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003319.96
LogP ≤ 526.98
H-Bond Donors ≤ 515
H-Bond Acceptors ≤ 1053

Computed Properties (RDKit)

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

Analyze 2-[4-(6-acetamido-5-chloropyrimidin-4-yl)-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-[4-[6-[(2-aminoacetyl)amino]-5-chloropyrimidin-4-yl]-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-[4-[6-[(2-amino-2-oxoethyl)amino]pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-[4-[6-[(3-amino-3-oxopropyl)amino]pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-[4-[5-chloro-6-(methanesulfonamido)pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[4-[6-(3-ethoxypropylamino)pyrimidin-4-yl]-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(6-acetamido-5-chloropyrimidin-4-yl)-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-[4-[6-[(2-aminoacetyl)amino]-5-chloropyrimidin-4-yl]-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-[4-[6-[(2-amino-2-oxoethyl)amino]pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-[4-[6-[(3-amino-3-oxopropyl)amino]pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-[4-[5-chloro-6-(methanesulfonamido)pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[4-[6-(3-ethoxypropylamino)pyrimidin-4-yl]-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-[4-(6-acetamido-5-chloropyrimidin-4-yl)-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-[4-[6-[(2-aminoacetyl)amino]-5-chloropyrimidin-4-yl]-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-[4-[6-[(2-amino-2-oxoethyl)amino]pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-[4-[6-[(3-amino-3-oxopropyl)amino]pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-[4-[5-chloro-6-(methanesulfonamido)pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[4-[6-(3-ethoxypropylamino)pyrimidin-4-yl]-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide (CID 158494705) is 2-[4-(6-acetamido-5-chloropyrimidin-4-yl)-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-[4-[6-[(2-aminoacetyl)amino]-5-chloropyrimidin-4-yl]-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-[4-[6-[(2-amino-2-oxoethyl)amino]pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-[4-[6-[(3-amino-3-oxopropyl)amino]pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-[4-[5-chloro-6-(methanesulfonamido)pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[4-[6-(3-ethoxypropylamino)pyrimidin-4-yl]-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-[4-(6-acetamido-5-chloropyrimidin-4-yl)-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-[4-[6-[(2-aminoacetyl)amino]-5-chloropyrimidin-4-yl]-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-[4-[6-[(2-amino-2-oxoethyl)amino]pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-[4-[6-[(3-amino-3-oxopropyl)amino]pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-[4-[5-chloro-6-(methanesulfonamido)pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[4-[6-(3-ethoxypropylamino)pyrimidin-4-yl]-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-[4-(6-acetamido-5-chloropyrimidin-4-yl)-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-[4-[6-[(2-aminoacetyl)amino]-5-chloropyrimidin-4-yl]-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-[4-[6-[(2-amino-2-oxoethyl)amino]pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-[4-[6-[(3-amino-3-oxopropyl)amino]pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-[4-[5-chloro-6-(methanesulfonamido)pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[4-[6-(3-ethoxypropylamino)pyrimidin-4-yl]-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide is CC(=O)Nc1ncnc(C(=O)CC(C)c2ncc(C(=O)Nc3cc(C(F)(F)F)c(Cl)cn3)s2)c1Cl.CC(CC(=O)c1cc(NCC(N)=O)ncn1)c1ncc(C(=O)Nc2cc(C(F)(F)F)c(Cl)cn2)s1.CC(CC(=O)c1cc(NCCC(N)=O)ncn1)c1ncc(C(=O)Nc2cc(C(F)(F)F)c(Cl)cn2)s1.CC(CC(=O)c1ncnc(NC(=O)CN)c1Cl)c1ncc(C(=O)Nc2cc(C(F)(F)F)c(Cl)cn2)s1.CC(CC(=O)c1ncnc(NS(C)(=O)=O)c1Cl)c1ncc(C(=O)Nc2cc(C(F)(F)F)c(Cl)cn2)s1.CCOCCCNc1cc(C(=O)CC(C)c2ncc(C(=O)Nc3cc(C(F)(F)F)c(Cl)cn3)s2)ncn1.
What is the InChIKey of 2-[4-(6-acetamido-5-chloropyrimidin-4-yl)-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-[4-[6-[(2-aminoacetyl)amino]-5-chloropyrimidin-4-yl]-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-[4-[6-[(2-amino-2-oxoethyl)amino]pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-[4-[6-[(3-amino-3-oxopropyl)amino]pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-[4-[5-chloro-6-(methanesulfonamido)pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[4-[6-(3-ethoxypropylamino)pyrimidin-4-yl]-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide?
The InChIKey is HJDDNLHAZWQFNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClF3N6O3S.C21H19ClF3N7O3S.C20H16Cl2F3N7O3S.C20H15Cl2F3N6O3S.C20H17ClF3N7O3S.C19H15Cl2F3N6O4S2/c1-3-36-6-4-5-28-19-9-16(31-12-32-19)17(34)7-13(2)22-30-11-18(37-22)21(35)33-20-8-14(23(25,26)27)15(24)10-29-20;1-10(4-14(33)13-6-17(31-9-30-13)27-3-2-16(26)34)20-29-8-15(36-20)19(35)32-18-5-11(21(23,24)25)12(22)7-28-18;1-8(2-11(33)16-15(22)17(30-7-29-16)32-14(34)4-26)19-28-6-12(36-19)18(35)31-13-3-9(20(23,24)25)10(21)5-27-13;1-8(3-12(33)16-15(22)17(29-7-28-16)30-9(2)32)19-27-6-13(35-19)18(34)31-14-4-10(20(23,24)25)11(21)5-26-14;1-9(2-13(32)12-4-16(30-8-29-12)27-7-15(25)33)19-28-6-14(35-19)18(34)31-17-3-10(20(22,23)24)11(21)5-26-17;1-8(3-11(31)15-14(21)16(28-7-27-15)30-36(2,33)34)18-26-6-12(35-18)17(32)29-13-4-9(19(22,23)24)10(20)5-25-13/h8-13H,3-7H2,1-2H3,(H,28,31,32)(H,29,33,35);5-10H,2-4H2,1H3,(H2,26,34)(H,27,30,31)(H,28,32,35);3,5-8H,2,4,26H2,1H3,(H,27,31,35)(H,29,30,32,34);4-8H,3H2,1-2H3,(H,26,31,34)(H,28,29,30,32);3-6,8-9H,2,7H2,1H3,(H2,25,33)(H,26,31,34)(H,27,29,30);4-8H,3H2,1-2H3,(H,25,29,32)(H,27,28,30).
What are the key properties of 2-[4-(6-acetamido-5-chloropyrimidin-4-yl)-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-[4-[6-[(2-aminoacetyl)amino]-5-chloropyrimidin-4-yl]-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-[4-[6-[(2-amino-2-oxoethyl)amino]pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-[4-[6-[(3-amino-3-oxopropyl)amino]pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-[4-[5-chloro-6-(methanesulfonamido)pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[4-[6-(3-ethoxypropylamino)pyrimidin-4-yl]-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide?
2-[4-(6-acetamido-5-chloropyrimidin-4-yl)-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-[4-[6-[(2-aminoacetyl)amino]-5-chloropyrimidin-4-yl]-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-[4-[6-[(2-amino-2-oxoethyl)amino]pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-[4-[6-[(3-amino-3-oxopropyl)amino]pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-[4-[5-chloro-6-(methanesulfonamido)pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[4-[6-(3-ethoxypropylamino)pyrimidin-4-yl]-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide has a molecular weight of 3319.96 g/mol, XLogP of 26.98, 54 rotatable bonds, 15 hydrogen bond donors, and 53 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(6-acetamido-5-chloropyrimidin-4-yl)-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-[4-[6-[(2-aminoacetyl)amino]-5-chloropyrimidin-4-yl]-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-[4-[6-[(2-amino-2-oxoethyl)amino]pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-[4-[6-[(3-amino-3-oxopropyl)amino]pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-[4-[5-chloro-6-(methanesulfonamido)pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[4-[6-(3-ethoxypropylamino)pyrimidin-4-yl]-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 158494705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).