(5R,6S)-5,6-bis(4-chlorophenyl)-N-[2-[(3R)-3,4-dimethylpiperazin-1-yl]-2-oxoethyl]-6-methyl-N,3-di(propan-2-yl)-5H-imidazo[2,1-b][1,3]thiazole-2-carboxamide;2-[[(5R,6S)-5,6-bis(4-chlorophenyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carbonyl]-propan-2-ylamino]acetic acid;(5R,6S)-5,6-bis(4-chlorophenyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carboxylic acid;tert-butyl 2-[[(5R,6S)-5,6-bis(4-chlorophenyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carbonyl]-propan-2-ylamino]acetate;tert-butyl 2-(propan-2-ylamino)acetate;(2R)-1,2-dimethylpiperazine

C128H160Cl8N16O12S4 — CID 161110142

IUPAC(5R,6S)-5,6-bis(4-chlorophenyl)-N-[2-[(3R)-3,4-dimethylpiperazin-1-yl]-2-oxoethyl]-6-methyl-N,3-di(propan-2-yl)-5H-imidazo[2,1-b][1,3]thiazole-2-carboxamide;2-[[(5R,6S)-5,6-bis(4-chlorophenyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carbonyl]-propan-2-ylamino]acetic acid;(5R,6S)-5,6-bis(4-chlorophenyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carboxylic acid;tert-butyl 2-[[(5R,6S)-5,6-bis(4-chlorophenyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carbonyl]-propan-2-ylamino]acetate;tert-butyl 2-(propan-2-ylamino)acetate;(2R)-1,2-dimethylpiperazine
SMILESCC(C)C1=C(C(=O)N(CC(=O)N2CCN(C)[C@H](C)C2)C(C)C)SC2=N[C@@](C)(c3ccc(Cl)cc3)[C@@H](c3ccc(Cl)cc3)N21.CC(C)C1=C(C(=O)N(CC(=O)O)C(C)C)SC2=N[C@@](C)(c3ccc(Cl)cc3)[C@@H](c3ccc(Cl)cc3)N21.CC(C)C1=C(C(=O)N(CC(=O)OC(C)(C)C)C(C)C)SC2=N[C@@](C)(c3ccc(Cl)cc3)[C@@H](c3ccc(Cl)cc3)N21.CC(C)C1=C(C(=O)O)SC2=N[C@@](C)(c3ccc(Cl)cc3)[C@@H](c3ccc(Cl)cc3)N21.CC(C)NCC(=O)OC(C)(C)C.C[C@@H]1CNCCN1C
InChIInChI=1S/C33H41Cl2N5O2S.C31H37Cl2N3O3S.C27H29Cl2N3O3S.C22H20Cl2N2O2S.C9H19NO2.C6H14N2/c1-20(2)28-29(31(42)39(21(3)4)19-27(41)38-17-16-37(7)22(5)18-38)43-32-36-33(6,24-10-14-26(35)15-11-24)30(40(28)32)23-8-12-25(34)13-9-23;1-18(2)25-26(28(38)35(19(3)4)17-24(37)39-30(5,6)7)40-29-34-31(8,21-11-15-23(33)16-12-21)27(36(25)29)20-9-13-22(32)14-10-20;1-15(2)22-23(25(35)31(16(3)4)14-21(33)34)36-26-30-27(5,18-8-12-20(29)13-9-18)24(32(22)26)17-6-10-19(28)11-7-17;1-12(2)17-18(20(27)28)29-21-25-22(3,14-6-10-16(24)11-7-14)19(26(17)21)13-4-8-15(23)9-5-13;1-7(2)10-6-8(11)12-9(3,4)5;1-6-5-7-3-4-8(6)2/h8-15,20-22,30H,16-19H2,1-7H3;9-16,18-19,27H,17H2,1-8H3;6-13,15-16,24H,14H2,1-5H3,(H,33,34);4-12,19H,1-3H3,(H,27,28);7,10H,6H2,1-5H3;6-7H,3-5H2,1-2H3/t22-,30-,33+;27-,31+;24-,27+;19-,22+;;6-/m1111.1/s1
InChIKeyUJOSCXZIGNQRKO-WJDKVYTOSA-N
MW2526.68 g/mol
LogP28.56
Rot. Bonds28

About (5R,6S)-5,6-bis(4-chlorophenyl)-N-[2-[(3R)-3,4-dimethylpiperazin-1-yl]-2-oxoethyl]-6-methyl-N,3-di(propan-2-yl)-5H-imidazo[2,1-b][1,3]thiazole-2-carboxamide;2-[[(5R,6S)-5,6-bis(4-chlorophenyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carbonyl]-propan-2-ylamino]acetic acid;(5R,6S)-5,6-bis(4-chlorophenyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carboxylic acid;tert-butyl 2-[[(5R,6S)-5,6-bis(4-chlorophenyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carbonyl]-propan-2-ylamino]acetate;tert-butyl 2-(propan-2-ylamino)acetate;(2R)-1,2-dimethylpiperazine

(5R,6S)-5,6-bis(4-chlorophenyl)-N-[2-[(3R)-3,4-dimethylpiperazin-1-yl]-2-oxoethyl]-6-methyl-N,3-di(propan-2-yl)-5H-imidazo[2,1-b][1,3]thiazole-2-carboxamide;2-[[(5R,6S)-5,6-bis(4-chlorophenyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carbonyl]-propan-2-ylamino]acetic acid;(5R,6S)-5,6-bis(4-chlorophenyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carboxylic acid;tert-butyl 2-[[(5R,6S)-5,6-bis(4-chlorophenyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carbonyl]-propan-2-ylamino]acetate;tert-butyl 2-(propan-2-ylamino)acetate;(2R)-1,2-dimethylpiperazine (PubChem CID 161110142) has the molecular formula C128H160Cl8N16O12S4 and a molecular weight of 2526.68 g/mol. Its IUPAC name is (5R,6S)-5,6-bis(4-chlorophenyl)-N-[2-[(3R)-3,4-dimethylpiperazin-1-yl]-2-oxoethyl]-6-methyl-N,3-di(propan-2-yl)-5H-imidazo[2,1-b][1,3]thiazole-2-carboxamide;2-[[(5R,6S)-5,6-bis(4-chlorophenyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carbonyl]-propan-2-ylamino]acetic acid;(5R,6S)-5,6-bis(4-chlorophenyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carboxylic acid;tert-butyl 2-[[(5R,6S)-5,6-bis(4-chlorophenyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carbonyl]-propan-2-ylamino]acetate;tert-butyl 2-(propan-2-ylamino)acetate;(2R)-1,2-dimethylpiperazine.

Molecular Properties

Compound Name(5R,6S)-5,6-bis(4-chlorophenyl)-N-[2-[(3R)-3,4-dimethylpiperazin-1-yl]-2-oxoethyl]-6-methyl-N,3-di(propan-2-yl)-5H-imidazo[2,1-b][1,3]thiazole-2-carboxamide;2-[[(5R,6S)-5,6-bis(4-chlorophenyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carbonyl]-propan-2-ylamino]acetic acid;(5R,6S)-5,6-bis(4-chlorophenyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carboxylic acid;tert-butyl 2-[[(5R,6S)-5,6-bis(4-chlorophenyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carbonyl]-propan-2-ylamino]acetate;tert-butyl 2-(propan-2-ylamino)acetate;(2R)-1,2-dimethylpiperazine
PubChem CID161110142
Molecular FormulaC128H160Cl8N16O12S4
Molecular Weight2526.68 g/mol
Exact Mass2520.88
IUPAC Name(5R,6S)-5,6-bis(4-chlorophenyl)-N-[2-[(3R)-3,4-dimethylpiperazin-1-yl]-2-oxoethyl]-6-methyl-N,3-di(propan-2-yl)-5H-imidazo[2,1-b][1,3]thiazole-2-carboxamide;2-[[(5R,6S)-5,6-bis(4-chlorophenyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carbonyl]-propan-2-ylamino]acetic acid;(5R,6S)-5,6-bis(4-chlorophenyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carboxylic acid;tert-butyl 2-[[(5R,6S)-5,6-bis(4-chlorophenyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carbonyl]-propan-2-ylamino]acetate;tert-butyl 2-(propan-2-ylamino)acetate;(2R)-1,2-dimethylpiperazine
SMILESCC(C)C1=C(C(=O)N(CC(=O)N2CCN(C)[C@H](C)C2)C(C)C)SC2=N[C@@](C)(c3ccc(Cl)cc3)[C@@H](c3ccc(Cl)cc3)N21.CC(C)C1=C(C(=O)N(CC(=O)O)C(C)C)SC2=N[C@@](C)(c3ccc(Cl)cc3)[C@@H](c3ccc(Cl)cc3)N21.CC(C)C1=C(C(=O)N(CC(=O)OC(C)(C)C)C(C)C)SC2=N[C@@](C)(c3ccc(Cl)cc3)[C@@H](c3ccc(Cl)cc3)N21.CC(C)C1=C(C(=O)O)SC2=N[C@@](C)(c3ccc(Cl)cc3)[C@@H](c3ccc(Cl)cc3)N21.CC(C)NCC(=O)OC(C)(C)C.C[C@@H]1CNCCN1C
InChIInChI=1S/C33H41Cl2N5O2S.C31H37Cl2N3O3S.C27H29Cl2N3O3S.C22H20Cl2N2O2S.C9H19NO2.C6H14N2/c1-20(2)28-29(31(42)39(21(3)4)19-27(41)38-17-16-37(7)22(5)18-38)43-32-36-33(6,24-10-14-26(35)15-11-24)30(40(28)32)23-8-12-25(34)13-9-23;1-18(2)25-26(28(38)35(19(3)4)17-24(37)39-30(5,6)7)40-29-34-31(8,21-11-15-23(33)16-12-21)27(36(25)29)20-9-13-22(32)14-10-20;1-15(2)22-23(25(35)31(16(3)4)14-21(33)34)36-26-30-27(5,18-8-12-20(29)13-9-18)24(32(22)26)17-6-10-19(28)11-7-17;1-12(2)17-18(20(27)28)29-21-25-22(3,14-6-10-16(24)11-7-14)19(26(17)21)13-4-8-15(23)9-5-13;1-7(2)10-6-8(11)12-9(3,4)5;1-6-5-7-3-4-8(6)2/h8-15,20-22,30H,16-19H2,1-7H3;9-16,18-19,27H,17H2,1-8H3;6-13,15-16,24H,14H2,1-5H3,(H,33,34);4-12,19H,1-3H3,(H,27,28);7,10H,6H2,1-5H3;6-7H,3-5H2,1-2H3/t22-,30-,33+;27-,31+;24-,27+;19-,22+;;6-/m1111.1/s1
InChIKeyUJOSCXZIGNQRKO-WJDKVYTOSA-N
XLogP28.56
TPSA301.38 Ų
H-Bond Donors4
H-Bond Acceptors26
Rotatable Bonds28
Heavy Atoms168
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002526.68
LogP ≤ 528.56
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1026

Analyze (5R,6S)-5,6-bis(4-chlorophenyl)-N-[2-[(3R)-3,4-dimethylpiperazin-1-yl]-2-oxoethyl]-6-methyl-N,3-di(propan-2-yl)-5H-imidazo[2,1-b][1,3]thiazole-2-carboxamide;2-[[(5R,6S)-5,6-bis(4-chlorophenyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carbonyl]-propan-2-ylamino]acetic acid;(5R,6S)-5,6-bis(4-chlorophenyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carboxylic acid;tert-butyl 2-[[(5R,6S)-5,6-bis(4-chlorophenyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carbonyl]-propan-2-ylamino]acetate;tert-butyl 2-(propan-2-ylamino)acetate;(2R)-1,2-dimethylpiperazine with MolForge

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Launch Full Analysis

Related Compounds

(5R,6S)-5,6-bis(4-chlorophenyl)-N-[2-[(3R)-3,4-dimethylpiperazin-1-yl]-2-oxoethyl]-6-methyl-N,3-di(propan-2-yl)-5H-imidazo[2,1-b][1,3]thiazole-2-carboxamide
CID 58006827
1-[(2R)-4-[(5R,6S)-5,6-bis(4-chlorophenyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carbonyl]-2-methylpiperazin-1-yl]ethanone;(5R,6S)-5,6-bis(4-chlorophenyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carboxylic acid;1-[(2R)-2-methylpiperazin-1-yl]ethanone
CID 162050819
(5R,6S)-5,6-bis(4-chlorophenyl)-6-methyl-N-[(1-methylazetidin-2-yl)methyl]-N,3-di(propan-2-yl)-5H-imidazo[2,1-b][1,3]thiazole-2-carboxamide
CID 143692071
[(2S)-1-[(5R,6S)-5,6-bis(4-chlorophenyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carbonyl]-5-methylpyrrolidin-2-yl]-[(3R)-3,4-dimethylpiperazin-1-yl]methanone
CID 72734404
(5R,6S)-N-(azetidin-3-yl)-5,6-bis(4-chlorophenyl)-6-methyl-N,3-di(propan-2-yl)-5H-imidazo[2,1-b][1,3]thiazole-2-carboxamide
CID 58006775
(5R,6S)-N-[(3S)-4-[tert-butyl(dimethyl)silyl]oxy-3-hydroxybutyl]-5,6-bis(4-chlorophenyl)-6-methyl-N,3-di(propan-2-yl)-5H-imidazo[2,1-b][1,3]thiazole-2-carboxamide
CID 58006856
5,6-bis(4-chlorophenyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carboxylic acid;[5,6-bis(4-chlorophenyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazol-2-yl]-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]methanone;(3R)-N,N-dimethylpyrrolidin-3-amine
CID 159893538
(5R,6S)-5,6-bis(4-chlorophenyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carboxylic acid;[(5R,6S)-5,6-bis(4-chlorophenyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazol-2-yl]-[(2S,5S)-2,5-dimethylpiperazin-1-yl]methanone;[(5R,6S)-5,6-bis(4-chlorophenyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazol-2-yl]-[(2S,5S)-2,4,5-trimethylpiperazin-1-yl]methanone;(2S,5S)-2,5-dimethylpiperazine
CID 158894724
(5R,6S)-5,6-bis(4-chlorophenyl)-N-[2-(dimethylamino)-2-oxoethyl]-N,6-dimethyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carboxamide
CID 68806753
(5R,6S)-5-(4-chlorophenyl)-6-(6-chloro-3-pyridinyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carboxylic acid;(5R,6S)-5-(4-chlorophenyl)-6-(6-chloro-3-pyridinyl)-N,N,6-trimethyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carboxamide
CID 160955270
(5R,6S)-5,6-bis(4-chlorophenyl)-N-ethyl-N-[(3S,4S)-4-hydroxy-1-methylpyrrolidin-3-yl]-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carboxamide;(5R,6S)-5,6-bis(4-chlorophenyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carboxylic acid;tert-butyl (3S,4S)-3-[[(5R,6S)-5,6-bis(4-chlorophenyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carbonyl]-ethylamino]-4-hydroxypyrrolidine-1-carboxylate;tert-butyl (3S,4S)-3-[[(5R,6S)-5,6-bis(4-chlorophenyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carbonyl]-ethylamino]-4-triethylsilyloxypyrrolidine-1-carboxylate;tert-butyl (3S,4S)-3-(ethylamino)-4-triethylsilyloxypyrrolidine-1-carboxylate
CID 159264230
(5R,6S)-N-[(3S)-4-[tert-butyl(diphenyl)silyl]oxy-3-(dimethylamino)butyl]-5,6-bis(4-chlorophenyl)-6-methyl-N,3-di(propan-2-yl)-5H-imidazo[2,1-b][1,3]thiazole-2-carboxamide
CID 58007310

Frequently Asked Questions

What is the IUPAC name of (5R,6S)-5,6-bis(4-chlorophenyl)-N-[2-[(3R)-3,4-dimethylpiperazin-1-yl]-2-oxoethyl]-6-methyl-N,3-di(propan-2-yl)-5H-imidazo[2,1-b][1,3]thiazole-2-carboxamide;2-[[(5R,6S)-5,6-bis(4-chlorophenyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carbonyl]-propan-2-ylamino]acetic acid;(5R,6S)-5,6-bis(4-chlorophenyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carboxylic acid;tert-butyl 2-[[(5R,6S)-5,6-bis(4-chlorophenyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carbonyl]-propan-2-ylamino]acetate;tert-butyl 2-(propan-2-ylamino)acetate;(2R)-1,2-dimethylpiperazine?
The IUPAC name of (5R,6S)-5,6-bis(4-chlorophenyl)-N-[2-[(3R)-3,4-dimethylpiperazin-1-yl]-2-oxoethyl]-6-methyl-N,3-di(propan-2-yl)-5H-imidazo[2,1-b][1,3]thiazole-2-carboxamide;2-[[(5R,6S)-5,6-bis(4-chlorophenyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carbonyl]-propan-2-ylamino]acetic acid;(5R,6S)-5,6-bis(4-chlorophenyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carboxylic acid;tert-butyl 2-[[(5R,6S)-5,6-bis(4-chlorophenyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carbonyl]-propan-2-ylamino]acetate;tert-butyl 2-(propan-2-ylamino)acetate;(2R)-1,2-dimethylpiperazine (CID 161110142) is (5R,6S)-5,6-bis(4-chlorophenyl)-N-[2-[(3R)-3,4-dimethylpiperazin-1-yl]-2-oxoethyl]-6-methyl-N,3-di(propan-2-yl)-5H-imidazo[2,1-b][1,3]thiazole-2-carboxamide;2-[[(5R,6S)-5,6-bis(4-chlorophenyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carbonyl]-propan-2-ylamino]acetic acid;(5R,6S)-5,6-bis(4-chlorophenyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carboxylic acid;tert-butyl 2-[[(5R,6S)-5,6-bis(4-chlorophenyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carbonyl]-propan-2-ylamino]acetate;tert-butyl 2-(propan-2-ylamino)acetate;(2R)-1,2-dimethylpiperazine.
What is the SMILES notation for (5R,6S)-5,6-bis(4-chlorophenyl)-N-[2-[(3R)-3,4-dimethylpiperazin-1-yl]-2-oxoethyl]-6-methyl-N,3-di(propan-2-yl)-5H-imidazo[2,1-b][1,3]thiazole-2-carboxamide;2-[[(5R,6S)-5,6-bis(4-chlorophenyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carbonyl]-propan-2-ylamino]acetic acid;(5R,6S)-5,6-bis(4-chlorophenyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carboxylic acid;tert-butyl 2-[[(5R,6S)-5,6-bis(4-chlorophenyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carbonyl]-propan-2-ylamino]acetate;tert-butyl 2-(propan-2-ylamino)acetate;(2R)-1,2-dimethylpiperazine?
The canonical SMILES for (5R,6S)-5,6-bis(4-chlorophenyl)-N-[2-[(3R)-3,4-dimethylpiperazin-1-yl]-2-oxoethyl]-6-methyl-N,3-di(propan-2-yl)-5H-imidazo[2,1-b][1,3]thiazole-2-carboxamide;2-[[(5R,6S)-5,6-bis(4-chlorophenyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carbonyl]-propan-2-ylamino]acetic acid;(5R,6S)-5,6-bis(4-chlorophenyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carboxylic acid;tert-butyl 2-[[(5R,6S)-5,6-bis(4-chlorophenyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carbonyl]-propan-2-ylamino]acetate;tert-butyl 2-(propan-2-ylamino)acetate;(2R)-1,2-dimethylpiperazine is CC(C)C1=C(C(=O)N(CC(=O)N2CCN(C)[C@H](C)C2)C(C)C)SC2=N[C@@](C)(c3ccc(Cl)cc3)[C@@H](c3ccc(Cl)cc3)N21.CC(C)C1=C(C(=O)N(CC(=O)O)C(C)C)SC2=N[C@@](C)(c3ccc(Cl)cc3)[C@@H](c3ccc(Cl)cc3)N21.CC(C)C1=C(C(=O)N(CC(=O)OC(C)(C)C)C(C)C)SC2=N[C@@](C)(c3ccc(Cl)cc3)[C@@H](c3ccc(Cl)cc3)N21.CC(C)C1=C(C(=O)O)SC2=N[C@@](C)(c3ccc(Cl)cc3)[C@@H](c3ccc(Cl)cc3)N21.CC(C)NCC(=O)OC(C)(C)C.C[C@@H]1CNCCN1C.
What is the InChIKey of (5R,6S)-5,6-bis(4-chlorophenyl)-N-[2-[(3R)-3,4-dimethylpiperazin-1-yl]-2-oxoethyl]-6-methyl-N,3-di(propan-2-yl)-5H-imidazo[2,1-b][1,3]thiazole-2-carboxamide;2-[[(5R,6S)-5,6-bis(4-chlorophenyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carbonyl]-propan-2-ylamino]acetic acid;(5R,6S)-5,6-bis(4-chlorophenyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carboxylic acid;tert-butyl 2-[[(5R,6S)-5,6-bis(4-chlorophenyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carbonyl]-propan-2-ylamino]acetate;tert-butyl 2-(propan-2-ylamino)acetate;(2R)-1,2-dimethylpiperazine?
The InChIKey is UJOSCXZIGNQRKO-WJDKVYTOSA-N. The full InChI is InChI=1S/C33H41Cl2N5O2S.C31H37Cl2N3O3S.C27H29Cl2N3O3S.C22H20Cl2N2O2S.C9H19NO2.C6H14N2/c1-20(2)28-29(31(42)39(21(3)4)19-27(41)38-17-16-37(7)22(5)18-38)43-32-36-33(6,24-10-14-26(35)15-11-24)30(40(28)32)23-8-12-25(34)13-9-23;1-18(2)25-26(28(38)35(19(3)4)17-24(37)39-30(5,6)7)40-29-34-31(8,21-11-15-23(33)16-12-21)27(36(25)29)20-9-13-22(32)14-10-20;1-15(2)22-23(25(35)31(16(3)4)14-21(33)34)36-26-30-27(5,18-8-12-20(29)13-9-18)24(32(22)26)17-6-10-19(28)11-7-17;1-12(2)17-18(20(27)28)29-21-25-22(3,14-6-10-16(24)11-7-14)19(26(17)21)13-4-8-15(23)9-5-13;1-7(2)10-6-8(11)12-9(3,4)5;1-6-5-7-3-4-8(6)2/h8-15,20-22,30H,16-19H2,1-7H3;9-16,18-19,27H,17H2,1-8H3;6-13,15-16,24H,14H2,1-5H3,(H,33,34);4-12,19H,1-3H3,(H,27,28);7,10H,6H2,1-5H3;6-7H,3-5H2,1-2H3/t22-,30-,33+;27-,31+;24-,27+;19-,22+;;6-/m1111.1/s1.
What are the key properties of (5R,6S)-5,6-bis(4-chlorophenyl)-N-[2-[(3R)-3,4-dimethylpiperazin-1-yl]-2-oxoethyl]-6-methyl-N,3-di(propan-2-yl)-5H-imidazo[2,1-b][1,3]thiazole-2-carboxamide;2-[[(5R,6S)-5,6-bis(4-chlorophenyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carbonyl]-propan-2-ylamino]acetic acid;(5R,6S)-5,6-bis(4-chlorophenyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carboxylic acid;tert-butyl 2-[[(5R,6S)-5,6-bis(4-chlorophenyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carbonyl]-propan-2-ylamino]acetate;tert-butyl 2-(propan-2-ylamino)acetate;(2R)-1,2-dimethylpiperazine?
(5R,6S)-5,6-bis(4-chlorophenyl)-N-[2-[(3R)-3,4-dimethylpiperazin-1-yl]-2-oxoethyl]-6-methyl-N,3-di(propan-2-yl)-5H-imidazo[2,1-b][1,3]thiazole-2-carboxamide;2-[[(5R,6S)-5,6-bis(4-chlorophenyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carbonyl]-propan-2-ylamino]acetic acid;(5R,6S)-5,6-bis(4-chlorophenyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carboxylic acid;tert-butyl 2-[[(5R,6S)-5,6-bis(4-chlorophenyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carbonyl]-propan-2-ylamino]acetate;tert-butyl 2-(propan-2-ylamino)acetate;(2R)-1,2-dimethylpiperazine has a molecular weight of 2526.68 g/mol, XLogP of 28.56, 28 rotatable bonds, 4 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,6S)-5,6-bis(4-chlorophenyl)-N-[2-[(3R)-3,4-dimethylpiperazin-1-yl]-2-oxoethyl]-6-methyl-N,3-di(propan-2-yl)-5H-imidazo[2,1-b][1,3]thiazole-2-carboxamide;2-[[(5R,6S)-5,6-bis(4-chlorophenyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carbonyl]-propan-2-ylamino]acetic acid;(5R,6S)-5,6-bis(4-chlorophenyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carboxylic acid;tert-butyl 2-[[(5R,6S)-5,6-bis(4-chlorophenyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carbonyl]-propan-2-ylamino]acetate;tert-butyl 2-(propan-2-ylamino)acetate;(2R)-1,2-dimethylpiperazine is sourced from PubChem (CID 161110142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).