dipotassium;4-amino-N-[5-[4-methoxy-2-methyl-5-(4-prop-2-enoylpiperazine-1-carbonyl)phenyl]sulfanyl-1,3-thiazol-2-yl]benzamide;5-[(2-amino-1,3-thiazol-5-yl)sulfanyl]-2-methoxy-4-methylbenzoic acid;tert-butyl 4-[4-[[5-[4-methoxy-2-methyl-5-(4-prop-2-enoylpiperazine-1-carbonyl)phenyl]sulfanyl-1,3-thiazol-2-yl]carbamoyl]phenyl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;tert-butyl 4-prop-2-enoylpiperazine-1-carboxylate;N-[2-[2-[2-[2-[3-(diethylamino)-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethyl]-5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanamide;(2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-[2-[5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]propanoate;hydride;N-[5-[4-methoxy-2-methyl-5-(4-prop-2-enoylpiperazine-1-carbonyl)phenyl]sulfanyl-1,3-thiazol-2-yl]-4-piperazin-1-ylbenzamide;4-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]benzoic acid;oxido formate;oxolane;1-piperazin-1-ylprop-2-en-1-one;prop-2-enoyl chloride

C205H286ClK2N35O49S10 — CID 167628997

IUPACdipotassium;4-amino-N-[5-[4-methoxy-2-methyl-5-(4-prop-2-enoylpiperazine-1-carbonyl)phenyl]sulfanyl-1,3-thiazol-2-yl]benzamide;5-[(2-amino-1,3-thiazol-5-yl)sulfanyl]-2-methoxy-4-methylbenzoic acid;tert-butyl 4-[4-[[5-[4-methoxy-2-methyl-5-(4-prop-2-enoylpiperazine-1-carbonyl)phenyl]sulfanyl-1,3-thiazol-2-yl]carbamoyl]phenyl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;tert-butyl 4-prop-2-enoylpiperazine-1-carboxylate;N-[2-[2-[2-[2-[3-(diethylamino)-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethyl]-5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanamide;(2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-[2-[5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]propanoate;hydride;N-[5-[4-methoxy-2-methyl-5-(4-prop-2-enoylpiperazine-1-carbonyl)phenyl]sulfanyl-1,3-thiazol-2-yl]-4-piperazin-1-ylbenzamide;4-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]benzoic acid;oxido formate;oxolane;1-piperazin-1-ylprop-2-en-1-one;prop-2-enoyl chloride
SMILESC1CCOC1.C=CC(=O)Cl.C=CC(=O)N1CCN(C(=O)OC(C)(C)C)CC1.C=CC(=O)N1CCN(C(=O)c2cc(Sc3cnc(NC(=O)c4ccc(N)cc4)s3)c(C)cc2OC)CC1.C=CC(=O)N1CCN(C(=O)c2cc(Sc3cnc(NC(=O)c4ccc(N5CCN(C(=O)OC(C)(C)C)CC5)cc4)s3)c(C)cc2OC)CC1.C=CC(=O)N1CCN(C(=O)c2cc(Sc3cnc(NC(=O)c4ccc(N5CCNCC5)cc4)s3)c(C)cc2OC)CC1.C=CC(=O)N1CCNCC1.CC(C)(C)OC(=O)N1CCN(c2ccc(C(=O)O)cc2)CC1.CC(C)(C)OC(=O)N1CCNCC1.CCN(CC)C(=O)CCOCCOCCOCCOCCNC(=O)CCCCC1SCC2NC(=O)NC21.COc1cc(C)c(Sc2cnc(N)s2)cc1C(=O)O.O=C(CCCCC1SCC2NC(=O)NC21)NCCOCCOCCOCCOCCC(=O)ON1C(=O)CCC1=O.O=CO[O-].[H-].[K+].[K+]
InChIInChI=1S/C35H42N6O6S2.C30H34N6O4S2.C26H27N5O4S2.C25H40N4O10S.C25H46N4O7S.C16H22N2O4.C12H12N2O3S2.C12H20N2O3.C9H18N2O2.C7H12N2O.C4H8O.C3H3ClO.CH2O3.2K.H/c1-7-29(42)39-14-16-40(17-15-39)32(44)26-21-28(23(2)20-27(26)46-6)48-30-22-36-33(49-30)37-31(43)24-8-10-25(11-9-24)38-12-18-41(19-13-38)34(45)47-35(3,4)5;1-4-26(37)35-13-15-36(16-14-35)29(39)23-18-25(20(2)17-24(23)40-3)41-27-19-32-30(42-27)33-28(38)21-5-7-22(8-6-21)34-11-9-31-10-12-34;1-4-22(32)30-9-11-31(12-10-30)25(34)19-14-21(16(2)13-20(19)35-3)36-23-15-28-26(37-23)29-24(33)17-5-7-18(27)8-6-17;30-20(4-2-1-3-19-24-18(17-40-19)27-25(34)28-24)26-8-10-36-12-14-38-16-15-37-13-11-35-9-7-23(33)39-29-21(31)5-6-22(29)32;1-3-29(4-2)23(31)9-11-33-13-15-35-17-18-36-16-14-34-12-10-26-22(30)8-6-5-7-21-24-20(19-37-21)27-25(32)28-24;1-16(2,3)22-15(21)18-10-8-17(9-11-18)13-6-4-12(5-7-13)14(19)20;1-6-3-8(17-2)7(11(15)16)4-9(6)18-10-5-14-12(13)19-10;1-5-10(15)13-6-8-14(9-7-13)11(16)17-12(2,3)4;1-9(2,3)13-8(12)11-6-4-10-5-7-11;1-2-7(10)9-5-3-8-4-6-9;1-2-4-5-3-1;1-2-3(4)5;2-1-4-3;;;/h7-11,20-22H,1,12-19H2,2-6H3,(H,36,37,43);4-8,17-19,31H,1,9-16H2,2-3H3,(H,32,33,38);4-8,13-15H,1,9-12,27H2,2-3H3,(H,28,29,33);18-19,24H,1-17H2,(H,26,30)(H2,27,28,34);20-21,24H,3-19H2,1-2H3,(H,26,30)(H2,27,28,32);4-7H,8-11H2,1-3H3,(H,19,20);3-5H,1-2H3,(H2,13,14)(H,15,16);5H,1,6-9H2,2-4H3;10H,4-7H2,1-3H3;2,8H,1,3-6H2;1-4H2;2H,1H2;1,3H;;;/q;;;;;;;;;;;;;2*+1;-1/p-1
InChIKeySLPUCRFJNYYFIS-UHFFFAOYSA-M
MW4459.06 g/mol
LogP15.40
Rot. Bonds76

About dipotassium;4-amino-N-[5-[4-methoxy-2-methyl-5-(4-prop-2-enoylpiperazine-1-carbonyl)phenyl]sulfanyl-1,3-thiazol-2-yl]benzamide;5-[(2-amino-1,3-thiazol-5-yl)sulfanyl]-2-methoxy-4-methylbenzoic acid;tert-butyl 4-[4-[[5-[4-methoxy-2-methyl-5-(4-prop-2-enoylpiperazine-1-carbonyl)phenyl]sulfanyl-1,3-thiazol-2-yl]carbamoyl]phenyl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;tert-butyl 4-prop-2-enoylpiperazine-1-carboxylate;N-[2-[2-[2-[2-[3-(diethylamino)-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethyl]-5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanamide;(2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-[2-[5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]propanoate;hydride;N-[5-[4-methoxy-2-methyl-5-(4-prop-2-enoylpiperazine-1-carbonyl)phenyl]sulfanyl-1,3-thiazol-2-yl]-4-piperazin-1-ylbenzamide;4-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]benzoic acid;oxido formate;oxolane;1-piperazin-1-ylprop-2-en-1-one;prop-2-enoyl chloride

dipotassium;4-amino-N-[5-[4-methoxy-2-methyl-5-(4-prop-2-enoylpiperazine-1-carbonyl)phenyl]sulfanyl-1,3-thiazol-2-yl]benzamide;5-[(2-amino-1,3-thiazol-5-yl)sulfanyl]-2-methoxy-4-methylbenzoic acid;tert-butyl 4-[4-[[5-[4-methoxy-2-methyl-5-(4-prop-2-enoylpiperazine-1-carbonyl)phenyl]sulfanyl-1,3-thiazol-2-yl]carbamoyl]phenyl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;tert-butyl 4-prop-2-enoylpiperazine-1-carboxylate;N-[2-[2-[2-[2-[3-(diethylamino)-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethyl]-5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanamide;(2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-[2-[5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]propanoate;hydride;N-[5-[4-methoxy-2-methyl-5-(4-prop-2-enoylpiperazine-1-carbonyl)phenyl]sulfanyl-1,3-thiazol-2-yl]-4-piperazin-1-ylbenzamide;4-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]benzoic acid;oxido formate;oxolane;1-piperazin-1-ylprop-2-en-1-one;prop-2-enoyl chloride (PubChem CID 167628997) has the molecular formula C205H286ClK2N35O49S10 and a molecular weight of 4459.06 g/mol. Its IUPAC name is dipotassium;4-amino-N-[5-[4-methoxy-2-methyl-5-(4-prop-2-enoylpiperazine-1-carbonyl)phenyl]sulfanyl-1,3-thiazol-2-yl]benzamide;5-[(2-amino-1,3-thiazol-5-yl)sulfanyl]-2-methoxy-4-methylbenzoic acid;tert-butyl 4-[4-[[5-[4-methoxy-2-methyl-5-(4-prop-2-enoylpiperazine-1-carbonyl)phenyl]sulfanyl-1,3-thiazol-2-yl]carbamoyl]phenyl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;tert-butyl 4-prop-2-enoylpiperazine-1-carboxylate;N-[2-[2-[2-[2-[3-(diethylamino)-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethyl]-5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanamide;(2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-[2-[5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]propanoate;hydride;N-[5-[4-methoxy-2-methyl-5-(4-prop-2-enoylpiperazine-1-carbonyl)phenyl]sulfanyl-1,3-thiazol-2-yl]-4-piperazin-1-ylbenzamide;4-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]benzoic acid;oxido formate;oxolane;1-piperazin-1-ylprop-2-en-1-one;prop-2-enoyl chloride.

Molecular Properties

Compound Namedipotassium;4-amino-N-[5-[4-methoxy-2-methyl-5-(4-prop-2-enoylpiperazine-1-carbonyl)phenyl]sulfanyl-1,3-thiazol-2-yl]benzamide;5-[(2-amino-1,3-thiazol-5-yl)sulfanyl]-2-methoxy-4-methylbenzoic acid;tert-butyl 4-[4-[[5-[4-methoxy-2-methyl-5-(4-prop-2-enoylpiperazine-1-carbonyl)phenyl]sulfanyl-1,3-thiazol-2-yl]carbamoyl]phenyl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;tert-butyl 4-prop-2-enoylpiperazine-1-carboxylate;N-[2-[2-[2-[2-[3-(diethylamino)-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethyl]-5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanamide;(2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-[2-[5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]propanoate;hydride;N-[5-[4-methoxy-2-methyl-5-(4-prop-2-enoylpiperazine-1-carbonyl)phenyl]sulfanyl-1,3-thiazol-2-yl]-4-piperazin-1-ylbenzamide;4-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]benzoic acid;oxido formate;oxolane;1-piperazin-1-ylprop-2-en-1-one;prop-2-enoyl chloride
PubChem CID167628997
Molecular FormulaC205H286ClK2N35O49S10
Molecular Weight4459.06 g/mol
Exact Mass4454.71
IUPAC Namedipotassium;4-amino-N-[5-[4-methoxy-2-methyl-5-(4-prop-2-enoylpiperazine-1-carbonyl)phenyl]sulfanyl-1,3-thiazol-2-yl]benzamide;5-[(2-amino-1,3-thiazol-5-yl)sulfanyl]-2-methoxy-4-methylbenzoic acid;tert-butyl 4-[4-[[5-[4-methoxy-2-methyl-5-(4-prop-2-enoylpiperazine-1-carbonyl)phenyl]sulfanyl-1,3-thiazol-2-yl]carbamoyl]phenyl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;tert-butyl 4-prop-2-enoylpiperazine-1-carboxylate;N-[2-[2-[2-[2-[3-(diethylamino)-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethyl]-5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanamide;(2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-[2-[5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]propanoate;hydride;N-[5-[4-methoxy-2-methyl-5-(4-prop-2-enoylpiperazine-1-carbonyl)phenyl]sulfanyl-1,3-thiazol-2-yl]-4-piperazin-1-ylbenzamide;4-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]benzoic acid;oxido formate;oxolane;1-piperazin-1-ylprop-2-en-1-one;prop-2-enoyl chloride
SMILESC1CCOC1.C=CC(=O)Cl.C=CC(=O)N1CCN(C(=O)OC(C)(C)C)CC1.C=CC(=O)N1CCN(C(=O)c2cc(Sc3cnc(NC(=O)c4ccc(N)cc4)s3)c(C)cc2OC)CC1.C=CC(=O)N1CCN(C(=O)c2cc(Sc3cnc(NC(=O)c4ccc(N5CCN(C(=O)OC(C)(C)C)CC5)cc4)s3)c(C)cc2OC)CC1.C=CC(=O)N1CCN(C(=O)c2cc(Sc3cnc(NC(=O)c4ccc(N5CCNCC5)cc4)s3)c(C)cc2OC)CC1.C=CC(=O)N1CCNCC1.CC(C)(C)OC(=O)N1CCN(c2ccc(C(=O)O)cc2)CC1.CC(C)(C)OC(=O)N1CCNCC1.CCN(CC)C(=O)CCOCCOCCOCCOCCNC(=O)CCCCC1SCC2NC(=O)NC21.COc1cc(C)c(Sc2cnc(N)s2)cc1C(=O)O.O=C(CCCCC1SCC2NC(=O)NC21)NCCOCCOCCOCCOCCC(=O)ON1C(=O)CCC1=O.O=CO[O-].[H-].[K+].[K+]
InChIInChI=1S/C35H42N6O6S2.C30H34N6O4S2.C26H27N5O4S2.C25H40N4O10S.C25H46N4O7S.C16H22N2O4.C12H12N2O3S2.C12H20N2O3.C9H18N2O2.C7H12N2O.C4H8O.C3H3ClO.CH2O3.2K.H/c1-7-29(42)39-14-16-40(17-15-39)32(44)26-21-28(23(2)20-27(26)46-6)48-30-22-36-33(49-30)37-31(43)24-8-10-25(11-9-24)38-12-18-41(19-13-38)34(45)47-35(3,4)5;1-4-26(37)35-13-15-36(16-14-35)29(39)23-18-25(20(2)17-24(23)40-3)41-27-19-32-30(42-27)33-28(38)21-5-7-22(8-6-21)34-11-9-31-10-12-34;1-4-22(32)30-9-11-31(12-10-30)25(34)19-14-21(16(2)13-20(19)35-3)36-23-15-28-26(37-23)29-24(33)17-5-7-18(27)8-6-17;30-20(4-2-1-3-19-24-18(17-40-19)27-25(34)28-24)26-8-10-36-12-14-38-16-15-37-13-11-35-9-7-23(33)39-29-21(31)5-6-22(29)32;1-3-29(4-2)23(31)9-11-33-13-15-35-17-18-36-16-14-34-12-10-26-22(30)8-6-5-7-21-24-20(19-37-21)27-25(32)28-24;1-16(2,3)22-15(21)18-10-8-17(9-11-18)13-6-4-12(5-7-13)14(19)20;1-6-3-8(17-2)7(11(15)16)4-9(6)18-10-5-14-12(13)19-10;1-5-10(15)13-6-8-14(9-7-13)11(16)17-12(2,3)4;1-9(2,3)13-8(12)11-6-4-10-5-7-11;1-2-7(10)9-5-3-8-4-6-9;1-2-4-5-3-1;1-2-3(4)5;2-1-4-3;;;/h7-11,20-22H,1,12-19H2,2-6H3,(H,36,37,43);4-8,17-19,31H,1,9-16H2,2-3H3,(H,32,33,38);4-8,13-15H,1,9-12,27H2,2-3H3,(H,28,29,33);18-19,24H,1-17H2,(H,26,30)(H2,27,28,34);20-21,24H,3-19H2,1-2H3,(H,26,30)(H2,27,28,32);4-7H,8-11H2,1-3H3,(H,19,20);3-5H,1-2H3,(H2,13,14)(H,15,16);5H,1,6-9H2,2-4H3;10H,4-7H2,1-3H3;2,8H,1,3-6H2;1-4H2;2H,1H2;1,3H;;;/q;;;;;;;;;;;;;2*+1;-1/p-1
InChIKeySLPUCRFJNYYFIS-UHFFFAOYSA-M
XLogP15.40
TPSA1002.82 Ų
H-Bond Donors16
H-Bond Acceptors69
Rotatable Bonds76
Heavy Atoms302
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004459.06
LogP ≤ 515.40
H-Bond Donors ≤ 516
H-Bond Acceptors ≤ 1069

Analyze dipotassium;4-amino-N-[5-[4-methoxy-2-methyl-5-(4-prop-2-enoylpiperazine-1-carbonyl)phenyl]sulfanyl-1,3-thiazol-2-yl]benzamide;5-[(2-amino-1,3-thiazol-5-yl)sulfanyl]-2-methoxy-4-methylbenzoic acid;tert-butyl 4-[4-[[5-[4-methoxy-2-methyl-5-(4-prop-2-enoylpiperazine-1-carbonyl)phenyl]sulfanyl-1,3-thiazol-2-yl]carbamoyl]phenyl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;tert-butyl 4-prop-2-enoylpiperazine-1-carboxylate;N-[2-[2-[2-[2-[3-(diethylamino)-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethyl]-5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanamide;(2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-[2-[5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]propanoate;hydride;N-[5-[4-methoxy-2-methyl-5-(4-prop-2-enoylpiperazine-1-carbonyl)phenyl]sulfanyl-1,3-thiazol-2-yl]-4-piperazin-1-ylbenzamide;4-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]benzoic acid;oxido formate;oxolane;1-piperazin-1-ylprop-2-en-1-one;prop-2-enoyl chloride with MolForge

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Related Compounds

tert-butyl 4-[4-[[5-[4-methoxy-2-methyl-5-(4-prop-2-enoylpiperazine-1-carbonyl)phenyl]sulfanyl-1,3-thiazol-2-yl]carbamoyl]phenyl]piperazine-1-carboxylate;N-[5-[5-[(3S)-3-cyano-4-prop-2-enoylpiperazine-1-carbonyl]-4-methoxy-2-methylphenyl]sulfanyl-1,3-thiazol-2-yl]cyclopropanecarboxamide;3-[(dimethylamino)methyl]-N-[5-[4-methoxy-2-methyl-5-[4-(2-methylprop-2-enoyl)-1,4-diazepane-1-carbonyl]phenyl]sulfanyl-1,3-thiazol-2-yl]benzamide;N-[5-[5-[(3R)-3-ethyl-4-prop-2-enoylpiperazine-1-carbonyl]-4-methoxy-2-methylphenyl]sulfanyl-1,3-thiazol-2-yl]cyclopropanecarboxamide;N-[5-[4-methoxy-2-methyl-5-(4-prop-2-enoylpiperazine-1-carbonyl)phenyl]sulfanyl-1,3-thiazol-2-yl]-4-[4-[3-[2-[2-[2-[2-[5-(2-methylidene-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]propanoyl]piperazin-1-yl]benzamide
CID 159217994
N-[5-[4-methoxy-2-methyl-5-(morpholine-4-carbonyl)phenyl]sulfanyl-1,3-thiazol-2-yl]-4-[4-(3-propoxypropanoyl)piperazin-1-yl]benzamide
CID 168849878
5-[(2-amino-1,3-thiazol-5-yl)sulfanyl]-2-methoxy-4-methylbenzoic acid;tert-butyl 4-[5-[(2-amino-1,3-thiazol-5-yl)sulfanyl]-2-methoxy-4-methylbenzoyl]piperazine-1-carboxylate;tert-butyl 4-[5-[[2-(cyclopropanecarbonylamino)-1,3-thiazol-5-yl]sulfanyl]-2-methoxy-4-methylbenzoyl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;cyclopropanecarbonyl chloride;deuterioethane;(E)-4-(dimethylamino)but-2-enoic acid;N-[5-[5-[4-[(E)-4-(dimethylamino)but-2-enoyl]piperazine-1-carbonyl]-4-methoxy-2-methylphenyl]sulfanyl-1,3-thiazol-2-yl]cyclopropanecarboxamide;methane;N-[5-[4-methoxy-2-methyl-5-[4-(2,2,2-trifluoroacetyl)piperazine-1-carbonyl]phenyl]sulfanyl-1,3-thiazol-2-yl]cyclopropanecarboxamide;2,2,2-trifluoroacetaldehyde
CID 159553768
(2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-[2-[2-[2-[2-[2-[5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate
CID 118987154
N-[5-[4-methoxy-2-methyl-5-(morpholine-4-carbonyl)phenyl]sulfanyl-1,3-thiazol-2-yl]-4-(4-propan-2-ylpiperazin-1-yl)benzamide
CID 168849854
N-[5-[5-(4-acetylpiperazine-1-carbonyl)-4-methoxy-2-methylphenyl]sulfanyl-1,3-thiazol-2-yl]-4-[4-[3-(4-butylpiperazin-1-yl)propyl]piperazin-1-yl]benzamide
CID 168849862
N-[5-[5-(4-acetylpiperazine-1-carbonyl)-4-methoxy-2-methylphenyl]sulfanyl-1,3-thiazol-2-yl]-4-(4-methylpiperazin-1-yl)benzamide
CID 168849856
N-[5-[4-methoxy-2-methyl-5-(4-prop-2-enoylpiperazine-1-carbonyl)phenyl]sulfanyl-1,3-thiazol-2-yl]thiophene-3-carboxamide
CID 134517721
tert-butyl 3-[2-[2-[2-[2-[2-[2-[5-[(3aR,6aS)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate
CID 146014314
N-[5-[5-(4-acetylpiperazine-1-carbonyl)-4-methoxy-2-methylphenyl]sulfanyl-1,3-thiazol-2-yl]-4-[4-(4-prop-1-ynylcyclohexyl)piperazin-1-yl]benzamide
CID 170037051
4-[[4-amino-2-(4-nitrophenyl)sulfanylbenzoyl]amino]-3-methoxy-N-[2-[2-[2-[2-[5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanoylamino]ethoxy]ethoxy]ethoxy]ethyl]benzamide
CID 166770742
tert-butyl 3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethyl-[2-[2-[2-[2-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]propanoate
CID 126480446

Frequently Asked Questions

What is the IUPAC name of dipotassium;4-amino-N-[5-[4-methoxy-2-methyl-5-(4-prop-2-enoylpiperazine-1-carbonyl)phenyl]sulfanyl-1,3-thiazol-2-yl]benzamide;5-[(2-amino-1,3-thiazol-5-yl)sulfanyl]-2-methoxy-4-methylbenzoic acid;tert-butyl 4-[4-[[5-[4-methoxy-2-methyl-5-(4-prop-2-enoylpiperazine-1-carbonyl)phenyl]sulfanyl-1,3-thiazol-2-yl]carbamoyl]phenyl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;tert-butyl 4-prop-2-enoylpiperazine-1-carboxylate;N-[2-[2-[2-[2-[3-(diethylamino)-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethyl]-5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanamide;(2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-[2-[5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]propanoate;hydride;N-[5-[4-methoxy-2-methyl-5-(4-prop-2-enoylpiperazine-1-carbonyl)phenyl]sulfanyl-1,3-thiazol-2-yl]-4-piperazin-1-ylbenzamide;4-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]benzoic acid;oxido formate;oxolane;1-piperazin-1-ylprop-2-en-1-one;prop-2-enoyl chloride?
The IUPAC name of dipotassium;4-amino-N-[5-[4-methoxy-2-methyl-5-(4-prop-2-enoylpiperazine-1-carbonyl)phenyl]sulfanyl-1,3-thiazol-2-yl]benzamide;5-[(2-amino-1,3-thiazol-5-yl)sulfanyl]-2-methoxy-4-methylbenzoic acid;tert-butyl 4-[4-[[5-[4-methoxy-2-methyl-5-(4-prop-2-enoylpiperazine-1-carbonyl)phenyl]sulfanyl-1,3-thiazol-2-yl]carbamoyl]phenyl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;tert-butyl 4-prop-2-enoylpiperazine-1-carboxylate;N-[2-[2-[2-[2-[3-(diethylamino)-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethyl]-5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanamide;(2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-[2-[5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]propanoate;hydride;N-[5-[4-methoxy-2-methyl-5-(4-prop-2-enoylpiperazine-1-carbonyl)phenyl]sulfanyl-1,3-thiazol-2-yl]-4-piperazin-1-ylbenzamide;4-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]benzoic acid;oxido formate;oxolane;1-piperazin-1-ylprop-2-en-1-one;prop-2-enoyl chloride (CID 167628997) is dipotassium;4-amino-N-[5-[4-methoxy-2-methyl-5-(4-prop-2-enoylpiperazine-1-carbonyl)phenyl]sulfanyl-1,3-thiazol-2-yl]benzamide;5-[(2-amino-1,3-thiazol-5-yl)sulfanyl]-2-methoxy-4-methylbenzoic acid;tert-butyl 4-[4-[[5-[4-methoxy-2-methyl-5-(4-prop-2-enoylpiperazine-1-carbonyl)phenyl]sulfanyl-1,3-thiazol-2-yl]carbamoyl]phenyl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;tert-butyl 4-prop-2-enoylpiperazine-1-carboxylate;N-[2-[2-[2-[2-[3-(diethylamino)-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethyl]-5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanamide;(2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-[2-[5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]propanoate;hydride;N-[5-[4-methoxy-2-methyl-5-(4-prop-2-enoylpiperazine-1-carbonyl)phenyl]sulfanyl-1,3-thiazol-2-yl]-4-piperazin-1-ylbenzamide;4-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]benzoic acid;oxido formate;oxolane;1-piperazin-1-ylprop-2-en-1-one;prop-2-enoyl chloride.
What is the SMILES notation for dipotassium;4-amino-N-[5-[4-methoxy-2-methyl-5-(4-prop-2-enoylpiperazine-1-carbonyl)phenyl]sulfanyl-1,3-thiazol-2-yl]benzamide;5-[(2-amino-1,3-thiazol-5-yl)sulfanyl]-2-methoxy-4-methylbenzoic acid;tert-butyl 4-[4-[[5-[4-methoxy-2-methyl-5-(4-prop-2-enoylpiperazine-1-carbonyl)phenyl]sulfanyl-1,3-thiazol-2-yl]carbamoyl]phenyl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;tert-butyl 4-prop-2-enoylpiperazine-1-carboxylate;N-[2-[2-[2-[2-[3-(diethylamino)-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethyl]-5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanamide;(2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-[2-[5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]propanoate;hydride;N-[5-[4-methoxy-2-methyl-5-(4-prop-2-enoylpiperazine-1-carbonyl)phenyl]sulfanyl-1,3-thiazol-2-yl]-4-piperazin-1-ylbenzamide;4-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]benzoic acid;oxido formate;oxolane;1-piperazin-1-ylprop-2-en-1-one;prop-2-enoyl chloride?
The canonical SMILES for dipotassium;4-amino-N-[5-[4-methoxy-2-methyl-5-(4-prop-2-enoylpiperazine-1-carbonyl)phenyl]sulfanyl-1,3-thiazol-2-yl]benzamide;5-[(2-amino-1,3-thiazol-5-yl)sulfanyl]-2-methoxy-4-methylbenzoic acid;tert-butyl 4-[4-[[5-[4-methoxy-2-methyl-5-(4-prop-2-enoylpiperazine-1-carbonyl)phenyl]sulfanyl-1,3-thiazol-2-yl]carbamoyl]phenyl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;tert-butyl 4-prop-2-enoylpiperazine-1-carboxylate;N-[2-[2-[2-[2-[3-(diethylamino)-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethyl]-5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanamide;(2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-[2-[5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]propanoate;hydride;N-[5-[4-methoxy-2-methyl-5-(4-prop-2-enoylpiperazine-1-carbonyl)phenyl]sulfanyl-1,3-thiazol-2-yl]-4-piperazin-1-ylbenzamide;4-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]benzoic acid;oxido formate;oxolane;1-piperazin-1-ylprop-2-en-1-one;prop-2-enoyl chloride is C1CCOC1.C=CC(=O)Cl.C=CC(=O)N1CCN(C(=O)OC(C)(C)C)CC1.C=CC(=O)N1CCN(C(=O)c2cc(Sc3cnc(NC(=O)c4ccc(N)cc4)s3)c(C)cc2OC)CC1.C=CC(=O)N1CCN(C(=O)c2cc(Sc3cnc(NC(=O)c4ccc(N5CCN(C(=O)OC(C)(C)C)CC5)cc4)s3)c(C)cc2OC)CC1.C=CC(=O)N1CCN(C(=O)c2cc(Sc3cnc(NC(=O)c4ccc(N5CCNCC5)cc4)s3)c(C)cc2OC)CC1.C=CC(=O)N1CCNCC1.CC(C)(C)OC(=O)N1CCN(c2ccc(C(=O)O)cc2)CC1.CC(C)(C)OC(=O)N1CCNCC1.CCN(CC)C(=O)CCOCCOCCOCCOCCNC(=O)CCCCC1SCC2NC(=O)NC21.COc1cc(C)c(Sc2cnc(N)s2)cc1C(=O)O.O=C(CCCCC1SCC2NC(=O)NC21)NCCOCCOCCOCCOCCC(=O)ON1C(=O)CCC1=O.O=CO[O-].[H-].[K+].[K+].
What is the InChIKey of dipotassium;4-amino-N-[5-[4-methoxy-2-methyl-5-(4-prop-2-enoylpiperazine-1-carbonyl)phenyl]sulfanyl-1,3-thiazol-2-yl]benzamide;5-[(2-amino-1,3-thiazol-5-yl)sulfanyl]-2-methoxy-4-methylbenzoic acid;tert-butyl 4-[4-[[5-[4-methoxy-2-methyl-5-(4-prop-2-enoylpiperazine-1-carbonyl)phenyl]sulfanyl-1,3-thiazol-2-yl]carbamoyl]phenyl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;tert-butyl 4-prop-2-enoylpiperazine-1-carboxylate;N-[2-[2-[2-[2-[3-(diethylamino)-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethyl]-5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanamide;(2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-[2-[5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]propanoate;hydride;N-[5-[4-methoxy-2-methyl-5-(4-prop-2-enoylpiperazine-1-carbonyl)phenyl]sulfanyl-1,3-thiazol-2-yl]-4-piperazin-1-ylbenzamide;4-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]benzoic acid;oxido formate;oxolane;1-piperazin-1-ylprop-2-en-1-one;prop-2-enoyl chloride?
The InChIKey is SLPUCRFJNYYFIS-UHFFFAOYSA-M. The full InChI is InChI=1S/C35H42N6O6S2.C30H34N6O4S2.C26H27N5O4S2.C25H40N4O10S.C25H46N4O7S.C16H22N2O4.C12H12N2O3S2.C12H20N2O3.C9H18N2O2.C7H12N2O.C4H8O.C3H3ClO.CH2O3.2K.H/c1-7-29(42)39-14-16-40(17-15-39)32(44)26-21-28(23(2)20-27(26)46-6)48-30-22-36-33(49-30)37-31(43)24-8-10-25(11-9-24)38-12-18-41(19-13-38)34(45)47-35(3,4)5;1-4-26(37)35-13-15-36(16-14-35)29(39)23-18-25(20(2)17-24(23)40-3)41-27-19-32-30(42-27)33-28(38)21-5-7-22(8-6-21)34-11-9-31-10-12-34;1-4-22(32)30-9-11-31(12-10-30)25(34)19-14-21(16(2)13-20(19)35-3)36-23-15-28-26(37-23)29-24(33)17-5-7-18(27)8-6-17;30-20(4-2-1-3-19-24-18(17-40-19)27-25(34)28-24)26-8-10-36-12-14-38-16-15-37-13-11-35-9-7-23(33)39-29-21(31)5-6-22(29)32;1-3-29(4-2)23(31)9-11-33-13-15-35-17-18-36-16-14-34-12-10-26-22(30)8-6-5-7-21-24-20(19-37-21)27-25(32)28-24;1-16(2,3)22-15(21)18-10-8-17(9-11-18)13-6-4-12(5-7-13)14(19)20;1-6-3-8(17-2)7(11(15)16)4-9(6)18-10-5-14-12(13)19-10;1-5-10(15)13-6-8-14(9-7-13)11(16)17-12(2,3)4;1-9(2,3)13-8(12)11-6-4-10-5-7-11;1-2-7(10)9-5-3-8-4-6-9;1-2-4-5-3-1;1-2-3(4)5;2-1-4-3;;;/h7-11,20-22H,1,12-19H2,2-6H3,(H,36,37,43);4-8,17-19,31H,1,9-16H2,2-3H3,(H,32,33,38);4-8,13-15H,1,9-12,27H2,2-3H3,(H,28,29,33);18-19,24H,1-17H2,(H,26,30)(H2,27,28,34);20-21,24H,3-19H2,1-2H3,(H,26,30)(H2,27,28,32);4-7H,8-11H2,1-3H3,(H,19,20);3-5H,1-2H3,(H2,13,14)(H,15,16);5H,1,6-9H2,2-4H3;10H,4-7H2,1-3H3;2,8H,1,3-6H2;1-4H2;2H,1H2;1,3H;;;/q;;;;;;;;;;;;;2*+1;-1/p-1.
What are the key properties of dipotassium;4-amino-N-[5-[4-methoxy-2-methyl-5-(4-prop-2-enoylpiperazine-1-carbonyl)phenyl]sulfanyl-1,3-thiazol-2-yl]benzamide;5-[(2-amino-1,3-thiazol-5-yl)sulfanyl]-2-methoxy-4-methylbenzoic acid;tert-butyl 4-[4-[[5-[4-methoxy-2-methyl-5-(4-prop-2-enoylpiperazine-1-carbonyl)phenyl]sulfanyl-1,3-thiazol-2-yl]carbamoyl]phenyl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;tert-butyl 4-prop-2-enoylpiperazine-1-carboxylate;N-[2-[2-[2-[2-[3-(diethylamino)-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethyl]-5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanamide;(2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-[2-[5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]propanoate;hydride;N-[5-[4-methoxy-2-methyl-5-(4-prop-2-enoylpiperazine-1-carbonyl)phenyl]sulfanyl-1,3-thiazol-2-yl]-4-piperazin-1-ylbenzamide;4-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]benzoic acid;oxido formate;oxolane;1-piperazin-1-ylprop-2-en-1-one;prop-2-enoyl chloride?
dipotassium;4-amino-N-[5-[4-methoxy-2-methyl-5-(4-prop-2-enoylpiperazine-1-carbonyl)phenyl]sulfanyl-1,3-thiazol-2-yl]benzamide;5-[(2-amino-1,3-thiazol-5-yl)sulfanyl]-2-methoxy-4-methylbenzoic acid;tert-butyl 4-[4-[[5-[4-methoxy-2-methyl-5-(4-prop-2-enoylpiperazine-1-carbonyl)phenyl]sulfanyl-1,3-thiazol-2-yl]carbamoyl]phenyl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;tert-butyl 4-prop-2-enoylpiperazine-1-carboxylate;N-[2-[2-[2-[2-[3-(diethylamino)-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethyl]-5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanamide;(2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-[2-[5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]propanoate;hydride;N-[5-[4-methoxy-2-methyl-5-(4-prop-2-enoylpiperazine-1-carbonyl)phenyl]sulfanyl-1,3-thiazol-2-yl]-4-piperazin-1-ylbenzamide;4-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]benzoic acid;oxido formate;oxolane;1-piperazin-1-ylprop-2-en-1-one;prop-2-enoyl chloride has a molecular weight of 4459.06 g/mol, XLogP of 15.40, 76 rotatable bonds, 16 hydrogen bond donors, and 69 hydrogen bond acceptors.
Where does this data come from?
All data for dipotassium;4-amino-N-[5-[4-methoxy-2-methyl-5-(4-prop-2-enoylpiperazine-1-carbonyl)phenyl]sulfanyl-1,3-thiazol-2-yl]benzamide;5-[(2-amino-1,3-thiazol-5-yl)sulfanyl]-2-methoxy-4-methylbenzoic acid;tert-butyl 4-[4-[[5-[4-methoxy-2-methyl-5-(4-prop-2-enoylpiperazine-1-carbonyl)phenyl]sulfanyl-1,3-thiazol-2-yl]carbamoyl]phenyl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;tert-butyl 4-prop-2-enoylpiperazine-1-carboxylate;N-[2-[2-[2-[2-[3-(diethylamino)-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethyl]-5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanamide;(2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-[2-[5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]propanoate;hydride;N-[5-[4-methoxy-2-methyl-5-(4-prop-2-enoylpiperazine-1-carbonyl)phenyl]sulfanyl-1,3-thiazol-2-yl]-4-piperazin-1-ylbenzamide;4-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]benzoic acid;oxido formate;oxolane;1-piperazin-1-ylprop-2-en-1-one;prop-2-enoyl chloride is sourced from PubChem (CID 167628997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).