(5R,6S)-5,6-bis(4-chlorophenyl)-N-[3-[cyclobutyl(methyl)amino]cyclobutyl]-6-methyl-N,3-di(propan-2-yl)-5H-imidazo[2,1-b][1,3]thiazole-2-carboxamide;(5R,6S)-5,6-bis(4-chlorophenyl)-6-methyl-N-[3-(methylamino)cyclobutyl]-N,3-di(propan-2-yl)-5H-imidazo[2,1-b][1,3]thiazole-2-carboxamide

C64H78Cl4N8O2S2 — CID 157119292

IUPAC(5R,6S)-5,6-bis(4-chlorophenyl)-N-[3-[cyclobutyl(methyl)amino]cyclobutyl]-6-methyl-N,3-di(propan-2-yl)-5H-imidazo[2,1-b][1,3]thiazole-2-carboxamide;(5R,6S)-5,6-bis(4-chlorophenyl)-6-methyl-N-[3-(methylamino)cyclobutyl]-N,3-di(propan-2-yl)-5H-imidazo[2,1-b][1,3]thiazole-2-carboxamide
SMILESCC(C)C1=C(C(=O)N(C(C)C)C2CC(N(C)C3CCC3)C2)SC2=N[C@@](C)(c3ccc(Cl)cc3)[C@@H](c3ccc(Cl)cc3)N21.CNC1CC(N(C(=O)C2=C(C(C)C)N3C(=N[C@@](C)(c4ccc(Cl)cc4)[C@H]3c3ccc(Cl)cc3)S2)C(C)C)C1
InChIInChI=1S/C34H42Cl2N4OS.C30H36Cl2N4OS/c1-20(2)29-30(32(41)39(21(3)4)28-18-27(19-28)38(6)26-8-7-9-26)42-33-37-34(5,23-12-16-25(36)17-13-23)31(40(29)33)22-10-14-24(35)15-11-22;1-17(2)25-26(28(37)35(18(3)4)24-15-23(16-24)33-6)38-29-34-30(5,20-9-13-22(32)14-10-20)27(36(25)29)19-7-11-21(31)12-8-19/h10-17,20-21,26-28,31H,7-9,18-19H2,1-6H3;7-14,17-18,23-24,27,33H,15-16H2,1-6H3/t27?,28?,31-,34+;23?,24?,27-,30+/m11/s1
InChIKeyAHTVHEGCCHEMEW-SEVXLXHZSA-N
MW1197.33 g/mol
LogP15.71
Rot. Bonds15

About (5R,6S)-5,6-bis(4-chlorophenyl)-N-[3-[cyclobutyl(methyl)amino]cyclobutyl]-6-methyl-N,3-di(propan-2-yl)-5H-imidazo[2,1-b][1,3]thiazole-2-carboxamide;(5R,6S)-5,6-bis(4-chlorophenyl)-6-methyl-N-[3-(methylamino)cyclobutyl]-N,3-di(propan-2-yl)-5H-imidazo[2,1-b][1,3]thiazole-2-carboxamide

(5R,6S)-5,6-bis(4-chlorophenyl)-N-[3-[cyclobutyl(methyl)amino]cyclobutyl]-6-methyl-N,3-di(propan-2-yl)-5H-imidazo[2,1-b][1,3]thiazole-2-carboxamide;(5R,6S)-5,6-bis(4-chlorophenyl)-6-methyl-N-[3-(methylamino)cyclobutyl]-N,3-di(propan-2-yl)-5H-imidazo[2,1-b][1,3]thiazole-2-carboxamide (PubChem CID 157119292) has the molecular formula C64H78Cl4N8O2S2 and a molecular weight of 1197.33 g/mol. Its IUPAC name is (5R,6S)-5,6-bis(4-chlorophenyl)-N-[3-[cyclobutyl(methyl)amino]cyclobutyl]-6-methyl-N,3-di(propan-2-yl)-5H-imidazo[2,1-b][1,3]thiazole-2-carboxamide;(5R,6S)-5,6-bis(4-chlorophenyl)-6-methyl-N-[3-(methylamino)cyclobutyl]-N,3-di(propan-2-yl)-5H-imidazo[2,1-b][1,3]thiazole-2-carboxamide.

Molecular Properties

Compound Name(5R,6S)-5,6-bis(4-chlorophenyl)-N-[3-[cyclobutyl(methyl)amino]cyclobutyl]-6-methyl-N,3-di(propan-2-yl)-5H-imidazo[2,1-b][1,3]thiazole-2-carboxamide;(5R,6S)-5,6-bis(4-chlorophenyl)-6-methyl-N-[3-(methylamino)cyclobutyl]-N,3-di(propan-2-yl)-5H-imidazo[2,1-b][1,3]thiazole-2-carboxamide
PubChem CID157119292
Molecular FormulaC64H78Cl4N8O2S2
Molecular Weight1197.33 g/mol
Exact Mass1194.44
IUPAC Name(5R,6S)-5,6-bis(4-chlorophenyl)-N-[3-[cyclobutyl(methyl)amino]cyclobutyl]-6-methyl-N,3-di(propan-2-yl)-5H-imidazo[2,1-b][1,3]thiazole-2-carboxamide;(5R,6S)-5,6-bis(4-chlorophenyl)-6-methyl-N-[3-(methylamino)cyclobutyl]-N,3-di(propan-2-yl)-5H-imidazo[2,1-b][1,3]thiazole-2-carboxamide
SMILESCC(C)C1=C(C(=O)N(C(C)C)C2CC(N(C)C3CCC3)C2)SC2=N[C@@](C)(c3ccc(Cl)cc3)[C@@H](c3ccc(Cl)cc3)N21.CNC1CC(N(C(=O)C2=C(C(C)C)N3C(=N[C@@](C)(c4ccc(Cl)cc4)[C@H]3c3ccc(Cl)cc3)S2)C(C)C)C1
InChIInChI=1S/C34H42Cl2N4OS.C30H36Cl2N4OS/c1-20(2)29-30(32(41)39(21(3)4)28-18-27(19-28)38(6)26-8-7-9-26)42-33-37-34(5,23-12-16-25(36)17-13-23)31(40(29)33)22-10-14-24(35)15-11-22;1-17(2)25-26(28(37)35(18(3)4)24-15-23(16-24)33-6)38-29-34-30(5,20-9-13-22(32)14-10-20)27(36(25)29)19-7-11-21(31)12-8-19/h10-17,20-21,26-28,31H,7-9,18-19H2,1-6H3;7-14,17-18,23-24,27,33H,15-16H2,1-6H3/t27?,28?,31-,34+;23?,24?,27-,30+/m11/s1
InChIKeyAHTVHEGCCHEMEW-SEVXLXHZSA-N
XLogP15.71
TPSA87.09 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds15
Heavy Atoms80
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001197.33
LogP ≤ 515.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze (5R,6S)-5,6-bis(4-chlorophenyl)-N-[3-[cyclobutyl(methyl)amino]cyclobutyl]-6-methyl-N,3-di(propan-2-yl)-5H-imidazo[2,1-b][1,3]thiazole-2-carboxamide;(5R,6S)-5,6-bis(4-chlorophenyl)-6-methyl-N-[3-(methylamino)cyclobutyl]-N,3-di(propan-2-yl)-5H-imidazo[2,1-b][1,3]thiazole-2-carboxamide with MolForge

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Related Compounds

(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)-5,6-bis(4-chlorophenyl)-N-ethyl-6-methyl-N-(1-methylpiperidin-4-yl)-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carboxamide
CID 58007339
(3S)-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]pyrrolidine-1-carboxylic acid
CID 68807243
1-[(5R,6S)-5,6-bis(4-chlorophenyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazol-2-yl]ethanone
CID 68806087
(5R,6S)-5,6-bis(4-chlorophenyl)-N-ethyl-6-methyl-N-(1-methylpyrrolidin-3-yl)-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carboxamide
CID 68804600
(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)-5,6-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
4-[5,6-bis(4-chlorophenyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carbonyl]-N,N-dimethylpiperazine-1-carboxamide
CID 58007132
1-[[(5R,6S)-5,6-bis(4-chlorophenyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carbonyl]-ethylamino]cyclopropane-1-carboxylic acid
CID 67058309
(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)-N-[(2S)-1-[acetyl(methyl)amino]propan-2-yl]-5,6-bis(4-chlorophenyl)-N,6-dimethyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carboxamide
CID 58007384
[(2S,5R)-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-[cyclopropyl(methyl)amino]pyrrolidin-1-yl]methanone
CID 58006924

Frequently Asked Questions

What is the IUPAC name of (5R,6S)-5,6-bis(4-chlorophenyl)-N-[3-[cyclobutyl(methyl)amino]cyclobutyl]-6-methyl-N,3-di(propan-2-yl)-5H-imidazo[2,1-b][1,3]thiazole-2-carboxamide;(5R,6S)-5,6-bis(4-chlorophenyl)-6-methyl-N-[3-(methylamino)cyclobutyl]-N,3-di(propan-2-yl)-5H-imidazo[2,1-b][1,3]thiazole-2-carboxamide?
The IUPAC name of (5R,6S)-5,6-bis(4-chlorophenyl)-N-[3-[cyclobutyl(methyl)amino]cyclobutyl]-6-methyl-N,3-di(propan-2-yl)-5H-imidazo[2,1-b][1,3]thiazole-2-carboxamide;(5R,6S)-5,6-bis(4-chlorophenyl)-6-methyl-N-[3-(methylamino)cyclobutyl]-N,3-di(propan-2-yl)-5H-imidazo[2,1-b][1,3]thiazole-2-carboxamide (CID 157119292) is (5R,6S)-5,6-bis(4-chlorophenyl)-N-[3-[cyclobutyl(methyl)amino]cyclobutyl]-6-methyl-N,3-di(propan-2-yl)-5H-imidazo[2,1-b][1,3]thiazole-2-carboxamide;(5R,6S)-5,6-bis(4-chlorophenyl)-6-methyl-N-[3-(methylamino)cyclobutyl]-N,3-di(propan-2-yl)-5H-imidazo[2,1-b][1,3]thiazole-2-carboxamide.
What is the SMILES notation for (5R,6S)-5,6-bis(4-chlorophenyl)-N-[3-[cyclobutyl(methyl)amino]cyclobutyl]-6-methyl-N,3-di(propan-2-yl)-5H-imidazo[2,1-b][1,3]thiazole-2-carboxamide;(5R,6S)-5,6-bis(4-chlorophenyl)-6-methyl-N-[3-(methylamino)cyclobutyl]-N,3-di(propan-2-yl)-5H-imidazo[2,1-b][1,3]thiazole-2-carboxamide?
The canonical SMILES for (5R,6S)-5,6-bis(4-chlorophenyl)-N-[3-[cyclobutyl(methyl)amino]cyclobutyl]-6-methyl-N,3-di(propan-2-yl)-5H-imidazo[2,1-b][1,3]thiazole-2-carboxamide;(5R,6S)-5,6-bis(4-chlorophenyl)-6-methyl-N-[3-(methylamino)cyclobutyl]-N,3-di(propan-2-yl)-5H-imidazo[2,1-b][1,3]thiazole-2-carboxamide is CC(C)C1=C(C(=O)N(C(C)C)C2CC(N(C)C3CCC3)C2)SC2=N[C@@](C)(c3ccc(Cl)cc3)[C@@H](c3ccc(Cl)cc3)N21.CNC1CC(N(C(=O)C2=C(C(C)C)N3C(=N[C@@](C)(c4ccc(Cl)cc4)[C@H]3c3ccc(Cl)cc3)S2)C(C)C)C1.
What is the InChIKey of (5R,6S)-5,6-bis(4-chlorophenyl)-N-[3-[cyclobutyl(methyl)amino]cyclobutyl]-6-methyl-N,3-di(propan-2-yl)-5H-imidazo[2,1-b][1,3]thiazole-2-carboxamide;(5R,6S)-5,6-bis(4-chlorophenyl)-6-methyl-N-[3-(methylamino)cyclobutyl]-N,3-di(propan-2-yl)-5H-imidazo[2,1-b][1,3]thiazole-2-carboxamide?
The InChIKey is AHTVHEGCCHEMEW-SEVXLXHZSA-N. The full InChI is InChI=1S/C34H42Cl2N4OS.C30H36Cl2N4OS/c1-20(2)29-30(32(41)39(21(3)4)28-18-27(19-28)38(6)26-8-7-9-26)42-33-37-34(5,23-12-16-25(36)17-13-23)31(40(29)33)22-10-14-24(35)15-11-22;1-17(2)25-26(28(37)35(18(3)4)24-15-23(16-24)33-6)38-29-34-30(5,20-9-13-22(32)14-10-20)27(36(25)29)19-7-11-21(31)12-8-19/h10-17,20-21,26-28,31H,7-9,18-19H2,1-6H3;7-14,17-18,23-24,27,33H,15-16H2,1-6H3/t27?,28?,31-,34+;23?,24?,27-,30+/m11/s1.
What are the key properties of (5R,6S)-5,6-bis(4-chlorophenyl)-N-[3-[cyclobutyl(methyl)amino]cyclobutyl]-6-methyl-N,3-di(propan-2-yl)-5H-imidazo[2,1-b][1,3]thiazole-2-carboxamide;(5R,6S)-5,6-bis(4-chlorophenyl)-6-methyl-N-[3-(methylamino)cyclobutyl]-N,3-di(propan-2-yl)-5H-imidazo[2,1-b][1,3]thiazole-2-carboxamide?
(5R,6S)-5,6-bis(4-chlorophenyl)-N-[3-[cyclobutyl(methyl)amino]cyclobutyl]-6-methyl-N,3-di(propan-2-yl)-5H-imidazo[2,1-b][1,3]thiazole-2-carboxamide;(5R,6S)-5,6-bis(4-chlorophenyl)-6-methyl-N-[3-(methylamino)cyclobutyl]-N,3-di(propan-2-yl)-5H-imidazo[2,1-b][1,3]thiazole-2-carboxamide has a molecular weight of 1197.33 g/mol, XLogP of 15.71, 15 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,6S)-5,6-bis(4-chlorophenyl)-N-[3-[cyclobutyl(methyl)amino]cyclobutyl]-6-methyl-N,3-di(propan-2-yl)-5H-imidazo[2,1-b][1,3]thiazole-2-carboxamide;(5R,6S)-5,6-bis(4-chlorophenyl)-6-methyl-N-[3-(methylamino)cyclobutyl]-N,3-di(propan-2-yl)-5H-imidazo[2,1-b][1,3]thiazole-2-carboxamide is sourced from PubChem (CID 157119292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).