2-[3-[5-chloro-6-[(2,2-dimethyl-1,3-dioxolan-4-yl)methylamino]pyrimidin-4-yl]-3-oxopropyl]-N-[4-chloro-3-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide;2-[4-[5-chloro-6-(2-hydroxyethylamino)pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-[4-[5-chloro-6-[4-(2-hydroxyethyl)piperazin-1-yl]pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-[4-[5-chloro-6-[4-(hydroxymethyl)piperidin-1-yl]pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-[4-[5-chloro-6-(3-hydroxypropylamino)pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-[3-[5-chloro-6-(2-pyridin-4-ylethylamino)pyrimidin-4-yl]-3-oxopropyl]-N-[4-chloro-3-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide

C138H124Cl12F18N36O18S6 — CID 158854536

IUPAC2-[3-[5-chloro-6-[(2,2-dimethyl-1,3-dioxolan-4-yl)methylamino]pyrimidin-4-yl]-3-oxopropyl]-N-[4-chloro-3-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide;2-[4-[5-chloro-6-(2-hydroxyethylamino)pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-[4-[5-chloro-6-[4-(2-hydroxyethyl)piperazin-1-yl]pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-[4-[5-chloro-6-[4-(hydroxymethyl)piperidin-1-yl]pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-[4-[5-chloro-6-(3-hydroxypropylamino)pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-[3-[5-chloro-6-(2-pyridin-4-ylethylamino)pyrimidin-4-yl]-3-oxopropyl]-N-[4-chloro-3-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide
SMILESCC(CC(=O)c1ncnc(N2CCC(CO)CC2)c1Cl)c1ncc(C(=O)Nc2cc(C(F)(F)F)c(Cl)cn2)s1.CC(CC(=O)c1ncnc(N2CCN(CCO)CC2)c1Cl)c1ncc(C(=O)Nc2cc(C(F)(F)F)c(Cl)cn2)s1.CC(CC(=O)c1ncnc(NCCCO)c1Cl)c1ncc(C(=O)Nc2cc(C(F)(F)F)c(Cl)cn2)s1.CC(CC(=O)c1ncnc(NCCO)c1Cl)c1ncc(C(=O)Nc2cc(C(F)(F)F)c(Cl)cn2)s1.CC1(C)OCC(CNc2ncnc(C(=O)CCc3ncc(C(=O)Nc4ccc(Cl)c(C(F)(F)F)c4)s3)c2Cl)O1.O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)c1cnc(CCC(=O)c2ncnc(NCCc3ccncc3)c2Cl)s1
InChIInChI=1S/C25H19Cl2F3N6O2S.C24H24Cl2F3N7O3S.C24H23Cl2F3N6O3S.C24H22Cl2F3N5O4S.C21H19Cl2F3N6O3S.C20H17Cl2F3N6O3S/c26-17-2-1-15(11-16(17)25(28,29)30)36-24(38)19-12-33-20(39-19)4-3-18(37)22-21(27)23(35-13-34-22)32-10-7-14-5-8-31-9-6-14;1-13(8-16(38)20-19(26)21(33-12-32-20)36-4-2-35(3-5-36)6-7-37)23-31-11-17(40-23)22(39)34-18-9-14(24(27,28)29)15(25)10-30-18;1-12(6-16(37)20-19(26)21(33-11-32-20)35-4-2-13(10-36)3-5-35)23-31-9-17(39-23)22(38)34-18-7-14(24(27,28)29)15(25)8-30-18;1-23(2)37-10-13(38-23)8-31-21-19(26)20(32-11-33-21)16(35)5-6-18-30-9-17(39-18)22(36)34-12-3-4-15(25)14(7-12)24(27,28)29;1-10(5-13(34)17-16(23)18(31-9-30-17)27-3-2-4-33)20-29-8-14(36-20)19(35)32-15-6-11(21(24,25)26)12(22)7-28-15;1-9(4-12(33)16-15(22)17(26-2-3-32)30-8-29-16)19-28-7-13(35-19)18(34)31-14-5-10(20(23,24)25)11(21)6-27-14/h1-2,5-6,8-9,11-13H,3-4,7,10H2,(H,36,38)(H,32,34,35);9-13,37H,2-8H2,1H3,(H,30,34,39);7-9,11-13,36H,2-6,10H2,1H3,(H,30,34,38);3-4,7,9,11,13H,5-6,8,10H2,1-2H3,(H,34,36)(H,31,32,33);6-10,33H,2-5H2,1H3,(H,27,30,31)(H,28,32,35);5-9,32H,2-4H2,1H3,(H,26,29,30)(H,27,31,34)
InChIKeyIZWKUSPVJOPMCR-UHFFFAOYSA-N
MW3534.55 g/mol
LogP31.92
Rot. Bonds55

About 2-[3-[5-chloro-6-[(2,2-dimethyl-1,3-dioxolan-4-yl)methylamino]pyrimidin-4-yl]-3-oxopropyl]-N-[4-chloro-3-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide;2-[4-[5-chloro-6-(2-hydroxyethylamino)pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-[4-[5-chloro-6-[4-(2-hydroxyethyl)piperazin-1-yl]pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-[4-[5-chloro-6-[4-(hydroxymethyl)piperidin-1-yl]pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-[4-[5-chloro-6-(3-hydroxypropylamino)pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-[3-[5-chloro-6-(2-pyridin-4-ylethylamino)pyrimidin-4-yl]-3-oxopropyl]-N-[4-chloro-3-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide

2-[3-[5-chloro-6-[(2,2-dimethyl-1,3-dioxolan-4-yl)methylamino]pyrimidin-4-yl]-3-oxopropyl]-N-[4-chloro-3-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide;2-[4-[5-chloro-6-(2-hydroxyethylamino)pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-[4-[5-chloro-6-[4-(2-hydroxyethyl)piperazin-1-yl]pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-[4-[5-chloro-6-[4-(hydroxymethyl)piperidin-1-yl]pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-[4-[5-chloro-6-(3-hydroxypropylamino)pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-[3-[5-chloro-6-(2-pyridin-4-ylethylamino)pyrimidin-4-yl]-3-oxopropyl]-N-[4-chloro-3-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide (PubChem CID 158854536) has the molecular formula C138H124Cl12F18N36O18S6 and a molecular weight of 3534.55 g/mol. Its IUPAC name is 2-[3-[5-chloro-6-[(2,2-dimethyl-1,3-dioxolan-4-yl)methylamino]pyrimidin-4-yl]-3-oxopropyl]-N-[4-chloro-3-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide;2-[4-[5-chloro-6-(2-hydroxyethylamino)pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-[4-[5-chloro-6-[4-(2-hydroxyethyl)piperazin-1-yl]pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-[4-[5-chloro-6-[4-(hydroxymethyl)piperidin-1-yl]pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-[4-[5-chloro-6-(3-hydroxypropylamino)pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-[3-[5-chloro-6-(2-pyridin-4-ylethylamino)pyrimidin-4-yl]-3-oxopropyl]-N-[4-chloro-3-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-[3-[5-chloro-6-[(2,2-dimethyl-1,3-dioxolan-4-yl)methylamino]pyrimidin-4-yl]-3-oxopropyl]-N-[4-chloro-3-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide;2-[4-[5-chloro-6-(2-hydroxyethylamino)pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-[4-[5-chloro-6-[4-(2-hydroxyethyl)piperazin-1-yl]pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-[4-[5-chloro-6-[4-(hydroxymethyl)piperidin-1-yl]pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-[4-[5-chloro-6-(3-hydroxypropylamino)pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-[3-[5-chloro-6-(2-pyridin-4-ylethylamino)pyrimidin-4-yl]-3-oxopropyl]-N-[4-chloro-3-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide
PubChem CID158854536
Molecular FormulaC138H124Cl12F18N36O18S6
Molecular Weight3534.55 g/mol
Exact Mass3526.42
IUPAC Name2-[3-[5-chloro-6-[(2,2-dimethyl-1,3-dioxolan-4-yl)methylamino]pyrimidin-4-yl]-3-oxopropyl]-N-[4-chloro-3-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide;2-[4-[5-chloro-6-(2-hydroxyethylamino)pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-[4-[5-chloro-6-[4-(2-hydroxyethyl)piperazin-1-yl]pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-[4-[5-chloro-6-[4-(hydroxymethyl)piperidin-1-yl]pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-[4-[5-chloro-6-(3-hydroxypropylamino)pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-[3-[5-chloro-6-(2-pyridin-4-ylethylamino)pyrimidin-4-yl]-3-oxopropyl]-N-[4-chloro-3-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide
SMILESCC(CC(=O)c1ncnc(N2CCC(CO)CC2)c1Cl)c1ncc(C(=O)Nc2cc(C(F)(F)F)c(Cl)cn2)s1.CC(CC(=O)c1ncnc(N2CCN(CCO)CC2)c1Cl)c1ncc(C(=O)Nc2cc(C(F)(F)F)c(Cl)cn2)s1.CC(CC(=O)c1ncnc(NCCCO)c1Cl)c1ncc(C(=O)Nc2cc(C(F)(F)F)c(Cl)cn2)s1.CC(CC(=O)c1ncnc(NCCO)c1Cl)c1ncc(C(=O)Nc2cc(C(F)(F)F)c(Cl)cn2)s1.CC1(C)OCC(CNc2ncnc(C(=O)CCc3ncc(C(=O)Nc4ccc(Cl)c(C(F)(F)F)c4)s3)c2Cl)O1.O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)c1cnc(CCC(=O)c2ncnc(NCCc3ccncc3)c2Cl)s1
InChIInChI=1S/C25H19Cl2F3N6O2S.C24H24Cl2F3N7O3S.C24H23Cl2F3N6O3S.C24H22Cl2F3N5O4S.C21H19Cl2F3N6O3S.C20H17Cl2F3N6O3S/c26-17-2-1-15(11-16(17)25(28,29)30)36-24(38)19-12-33-20(39-19)4-3-18(37)22-21(27)23(35-13-34-22)32-10-7-14-5-8-31-9-6-14;1-13(8-16(38)20-19(26)21(33-12-32-20)36-4-2-35(3-5-36)6-7-37)23-31-11-17(40-23)22(39)34-18-9-14(24(27,28)29)15(25)10-30-18;1-12(6-16(37)20-19(26)21(33-11-32-20)35-4-2-13(10-36)3-5-35)23-31-9-17(39-23)22(38)34-18-7-14(24(27,28)29)15(25)8-30-18;1-23(2)37-10-13(38-23)8-31-21-19(26)20(32-11-33-21)16(35)5-6-18-30-9-17(39-18)22(36)34-12-3-4-15(25)14(7-12)24(27,28)29;1-10(5-13(34)17-16(23)18(31-9-30-17)27-3-2-4-33)20-29-8-14(36-20)19(35)32-15-6-11(21(24,25)26)12(22)7-28-15;1-9(4-12(33)16-15(22)17(26-2-3-32)30-8-29-16)19-28-7-13(35-19)18(34)31-14-5-10(20(23,24)25)11(21)6-27-14/h1-2,5-6,8-9,11-13H,3-4,7,10H2,(H,36,38)(H,32,34,35);9-13,37H,2-8H2,1H3,(H,30,34,39);7-9,11-13,36H,2-6,10H2,1H3,(H,30,34,38);3-4,7,9,11,13H,5-6,8,10H2,1-2H3,(H,34,36)(H,31,32,33);6-10,33H,2-5H2,1H3,(H,27,30,31)(H,28,32,35);5-9,32H,2-4H2,1H3,(H,26,29,30)(H,27,31,34)
InChIKeyIZWKUSPVJOPMCR-UHFFFAOYSA-N
XLogP31.92
TPSA730.71 Ų
H-Bond Donors14
H-Bond Acceptors54
Rotatable Bonds55
Heavy Atoms228
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003534.55
LogP ≤ 531.92
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1054

Computed Properties (RDKit)

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

Analyze 2-[3-[5-chloro-6-[(2,2-dimethyl-1,3-dioxolan-4-yl)methylamino]pyrimidin-4-yl]-3-oxopropyl]-N-[4-chloro-3-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide;2-[4-[5-chloro-6-(2-hydroxyethylamino)pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-[4-[5-chloro-6-[4-(2-hydroxyethyl)piperazin-1-yl]pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-[4-[5-chloro-6-[4-(hydroxymethyl)piperidin-1-yl]pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-[4-[5-chloro-6-(3-hydroxypropylamino)pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-[3-[5-chloro-6-(2-pyridin-4-ylethylamino)pyrimidin-4-yl]-3-oxopropyl]-N-[4-chloro-3-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[5-chloro-6-[(2,2-dimethyl-1,3-dioxolan-4-yl)methylamino]pyrimidin-4-yl]-3-oxopropyl]-N-[4-chloro-3-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide;2-[4-[5-chloro-6-(2-hydroxyethylamino)pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-[4-[5-chloro-6-[4-(2-hydroxyethyl)piperazin-1-yl]pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-[4-[5-chloro-6-[4-(hydroxymethyl)piperidin-1-yl]pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-[4-[5-chloro-6-(3-hydroxypropylamino)pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-[3-[5-chloro-6-(2-pyridin-4-ylethylamino)pyrimidin-4-yl]-3-oxopropyl]-N-[4-chloro-3-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-[3-[5-chloro-6-[(2,2-dimethyl-1,3-dioxolan-4-yl)methylamino]pyrimidin-4-yl]-3-oxopropyl]-N-[4-chloro-3-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide;2-[4-[5-chloro-6-(2-hydroxyethylamino)pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-[4-[5-chloro-6-[4-(2-hydroxyethyl)piperazin-1-yl]pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-[4-[5-chloro-6-[4-(hydroxymethyl)piperidin-1-yl]pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-[4-[5-chloro-6-(3-hydroxypropylamino)pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-[3-[5-chloro-6-(2-pyridin-4-ylethylamino)pyrimidin-4-yl]-3-oxopropyl]-N-[4-chloro-3-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide (CID 158854536) is 2-[3-[5-chloro-6-[(2,2-dimethyl-1,3-dioxolan-4-yl)methylamino]pyrimidin-4-yl]-3-oxopropyl]-N-[4-chloro-3-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide;2-[4-[5-chloro-6-(2-hydroxyethylamino)pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-[4-[5-chloro-6-[4-(2-hydroxyethyl)piperazin-1-yl]pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-[4-[5-chloro-6-[4-(hydroxymethyl)piperidin-1-yl]pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-[4-[5-chloro-6-(3-hydroxypropylamino)pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-[3-[5-chloro-6-(2-pyridin-4-ylethylamino)pyrimidin-4-yl]-3-oxopropyl]-N-[4-chloro-3-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-[3-[5-chloro-6-[(2,2-dimethyl-1,3-dioxolan-4-yl)methylamino]pyrimidin-4-yl]-3-oxopropyl]-N-[4-chloro-3-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide;2-[4-[5-chloro-6-(2-hydroxyethylamino)pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-[4-[5-chloro-6-[4-(2-hydroxyethyl)piperazin-1-yl]pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-[4-[5-chloro-6-[4-(hydroxymethyl)piperidin-1-yl]pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-[4-[5-chloro-6-(3-hydroxypropylamino)pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-[3-[5-chloro-6-(2-pyridin-4-ylethylamino)pyrimidin-4-yl]-3-oxopropyl]-N-[4-chloro-3-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-[3-[5-chloro-6-[(2,2-dimethyl-1,3-dioxolan-4-yl)methylamino]pyrimidin-4-yl]-3-oxopropyl]-N-[4-chloro-3-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide;2-[4-[5-chloro-6-(2-hydroxyethylamino)pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-[4-[5-chloro-6-[4-(2-hydroxyethyl)piperazin-1-yl]pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-[4-[5-chloro-6-[4-(hydroxymethyl)piperidin-1-yl]pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-[4-[5-chloro-6-(3-hydroxypropylamino)pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-[3-[5-chloro-6-(2-pyridin-4-ylethylamino)pyrimidin-4-yl]-3-oxopropyl]-N-[4-chloro-3-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide is CC(CC(=O)c1ncnc(N2CCC(CO)CC2)c1Cl)c1ncc(C(=O)Nc2cc(C(F)(F)F)c(Cl)cn2)s1.CC(CC(=O)c1ncnc(N2CCN(CCO)CC2)c1Cl)c1ncc(C(=O)Nc2cc(C(F)(F)F)c(Cl)cn2)s1.CC(CC(=O)c1ncnc(NCCCO)c1Cl)c1ncc(C(=O)Nc2cc(C(F)(F)F)c(Cl)cn2)s1.CC(CC(=O)c1ncnc(NCCO)c1Cl)c1ncc(C(=O)Nc2cc(C(F)(F)F)c(Cl)cn2)s1.CC1(C)OCC(CNc2ncnc(C(=O)CCc3ncc(C(=O)Nc4ccc(Cl)c(C(F)(F)F)c4)s3)c2Cl)O1.O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)c1cnc(CCC(=O)c2ncnc(NCCc3ccncc3)c2Cl)s1.
What is the InChIKey of 2-[3-[5-chloro-6-[(2,2-dimethyl-1,3-dioxolan-4-yl)methylamino]pyrimidin-4-yl]-3-oxopropyl]-N-[4-chloro-3-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide;2-[4-[5-chloro-6-(2-hydroxyethylamino)pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-[4-[5-chloro-6-[4-(2-hydroxyethyl)piperazin-1-yl]pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-[4-[5-chloro-6-[4-(hydroxymethyl)piperidin-1-yl]pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-[4-[5-chloro-6-(3-hydroxypropylamino)pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-[3-[5-chloro-6-(2-pyridin-4-ylethylamino)pyrimidin-4-yl]-3-oxopropyl]-N-[4-chloro-3-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide?
The InChIKey is IZWKUSPVJOPMCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19Cl2F3N6O2S.C24H24Cl2F3N7O3S.C24H23Cl2F3N6O3S.C24H22Cl2F3N5O4S.C21H19Cl2F3N6O3S.C20H17Cl2F3N6O3S/c26-17-2-1-15(11-16(17)25(28,29)30)36-24(38)19-12-33-20(39-19)4-3-18(37)22-21(27)23(35-13-34-22)32-10-7-14-5-8-31-9-6-14;1-13(8-16(38)20-19(26)21(33-12-32-20)36-4-2-35(3-5-36)6-7-37)23-31-11-17(40-23)22(39)34-18-9-14(24(27,28)29)15(25)10-30-18;1-12(6-16(37)20-19(26)21(33-11-32-20)35-4-2-13(10-36)3-5-35)23-31-9-17(39-23)22(38)34-18-7-14(24(27,28)29)15(25)8-30-18;1-23(2)37-10-13(38-23)8-31-21-19(26)20(32-11-33-21)16(35)5-6-18-30-9-17(39-18)22(36)34-12-3-4-15(25)14(7-12)24(27,28)29;1-10(5-13(34)17-16(23)18(31-9-30-17)27-3-2-4-33)20-29-8-14(36-20)19(35)32-15-6-11(21(24,25)26)12(22)7-28-15;1-9(4-12(33)16-15(22)17(26-2-3-32)30-8-29-16)19-28-7-13(35-19)18(34)31-14-5-10(20(23,24)25)11(21)6-27-14/h1-2,5-6,8-9,11-13H,3-4,7,10H2,(H,36,38)(H,32,34,35);9-13,37H,2-8H2,1H3,(H,30,34,39);7-9,11-13,36H,2-6,10H2,1H3,(H,30,34,38);3-4,7,9,11,13H,5-6,8,10H2,1-2H3,(H,34,36)(H,31,32,33);6-10,33H,2-5H2,1H3,(H,27,30,31)(H,28,32,35);5-9,32H,2-4H2,1H3,(H,26,29,30)(H,27,31,34).
What are the key properties of 2-[3-[5-chloro-6-[(2,2-dimethyl-1,3-dioxolan-4-yl)methylamino]pyrimidin-4-yl]-3-oxopropyl]-N-[4-chloro-3-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide;2-[4-[5-chloro-6-(2-hydroxyethylamino)pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-[4-[5-chloro-6-[4-(2-hydroxyethyl)piperazin-1-yl]pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-[4-[5-chloro-6-[4-(hydroxymethyl)piperidin-1-yl]pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-[4-[5-chloro-6-(3-hydroxypropylamino)pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-[3-[5-chloro-6-(2-pyridin-4-ylethylamino)pyrimidin-4-yl]-3-oxopropyl]-N-[4-chloro-3-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide?
2-[3-[5-chloro-6-[(2,2-dimethyl-1,3-dioxolan-4-yl)methylamino]pyrimidin-4-yl]-3-oxopropyl]-N-[4-chloro-3-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide;2-[4-[5-chloro-6-(2-hydroxyethylamino)pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-[4-[5-chloro-6-[4-(2-hydroxyethyl)piperazin-1-yl]pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-[4-[5-chloro-6-[4-(hydroxymethyl)piperidin-1-yl]pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-[4-[5-chloro-6-(3-hydroxypropylamino)pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-[3-[5-chloro-6-(2-pyridin-4-ylethylamino)pyrimidin-4-yl]-3-oxopropyl]-N-[4-chloro-3-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide has a molecular weight of 3534.55 g/mol, XLogP of 31.92, 55 rotatable bonds, 14 hydrogen bond donors, and 54 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[5-chloro-6-[(2,2-dimethyl-1,3-dioxolan-4-yl)methylamino]pyrimidin-4-yl]-3-oxopropyl]-N-[4-chloro-3-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide;2-[4-[5-chloro-6-(2-hydroxyethylamino)pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-[4-[5-chloro-6-[4-(2-hydroxyethyl)piperazin-1-yl]pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-[4-[5-chloro-6-[4-(hydroxymethyl)piperidin-1-yl]pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-[4-[5-chloro-6-(3-hydroxypropylamino)pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-[3-[5-chloro-6-(2-pyridin-4-ylethylamino)pyrimidin-4-yl]-3-oxopropyl]-N-[4-chloro-3-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 158854536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).