N-[(1S)-7-(2-amino-5-fluoro-4-methylphenyl)-1-(5-naphthalen-2-yl-1H-imidazol-2-yl)-7-oxoheptyl]-1,3-thiazole-5-carboxamide;N-[(1S)-7-(2-amino-6-fluoro-3-methylphenyl)-1-(5-naphthalen-2-yl-1H-imidazol-2-yl)-7-oxoheptyl]-1,3-thiazole-5-carboxamide;N-[(1S)-7-(2-amino-5-fluorophenyl)-1-(5-naphthalen-2-yl-1H-imidazol-2-yl)-7-oxoheptyl]-1,3-thiazole-5-carboxamide;N-[(1S)-7-[2-(1,1-difluoroethoxy)phenyl]-1-(5-naphthalen-2-yl-1H-imidazol-2-yl)-7-oxoheptyl]-1,3-thiazole-5-carboxamide;N-[(1S)-7-[2-(1-fluoroethoxy)phenyl]-1-(5-naphthalen-2-yl-1H-imidazol-2-yl)-7-oxoheptyl]-1,3-thiazole-5-carboxamide;N-[(1S)-7-(4-methyl-1,2,5-thiadiazol-3-yl)-1-(5-naphthalen-2-yl-1H-imidazol-2-yl)-7-oxoheptyl]-1,3-thiazole-5-carboxamide

C183H175F6N29O14S7 — CID 165110209

IUPACN-[(1S)-7-(2-amino-5-fluoro-4-methylphenyl)-1-(5-naphthalen-2-yl-1H-imidazol-2-yl)-7-oxoheptyl]-1,3-thiazole-5-carboxamide;N-[(1S)-7-(2-amino-6-fluoro-3-methylphenyl)-1-(5-naphthalen-2-yl-1H-imidazol-2-yl)-7-oxoheptyl]-1,3-thiazole-5-carboxamide;N-[(1S)-7-(2-amino-5-fluorophenyl)-1-(5-naphthalen-2-yl-1H-imidazol-2-yl)-7-oxoheptyl]-1,3-thiazole-5-carboxamide;N-[(1S)-7-[2-(1,1-difluoroethoxy)phenyl]-1-(5-naphthalen-2-yl-1H-imidazol-2-yl)-7-oxoheptyl]-1,3-thiazole-5-carboxamide;N-[(1S)-7-[2-(1-fluoroethoxy)phenyl]-1-(5-naphthalen-2-yl-1H-imidazol-2-yl)-7-oxoheptyl]-1,3-thiazole-5-carboxamide;N-[(1S)-7-(4-methyl-1,2,5-thiadiazol-3-yl)-1-(5-naphthalen-2-yl-1H-imidazol-2-yl)-7-oxoheptyl]-1,3-thiazole-5-carboxamide
SMILESCC(F)(F)Oc1ccccc1C(=O)CCCCC[C@H](NC(=O)c1cncs1)c1ncc(-c2ccc3ccccc3c2)[nH]1.CC(F)Oc1ccccc1C(=O)CCCCC[C@H](NC(=O)c1cncs1)c1ncc(-c2ccc3ccccc3c2)[nH]1.Cc1cc(N)c(C(=O)CCCCC[C@H](NC(=O)c2cncs2)c2ncc(-c3ccc4ccccc4c3)[nH]2)cc1F.Cc1ccc(F)c(C(=O)CCCCC[C@H](NC(=O)c2cncs2)c2ncc(-c3ccc4ccccc4c3)[nH]2)c1N.Cc1nsnc1C(=O)CCCCC[C@H](NC(=O)c1cncs1)c1ncc(-c2ccc3ccccc3c2)[nH]1.Nc1ccc(F)cc1C(=O)CCCCC[C@H](NC(=O)c1cncs1)c1ncc(-c2ccc3ccccc3c2)[nH]1
InChIInChI=1S/C32H30F2N4O3S.C32H31FN4O3S.2C31H30FN5O2S.C30H28FN5O2S.C27H26N6O2S2/c1-32(33,34)41-28-14-8-7-11-24(28)27(39)13-4-2-3-12-25(38-31(40)29-19-35-20-42-29)30-36-18-26(37-30)23-16-15-21-9-5-6-10-22(21)17-23;1-21(33)40-29-14-8-7-11-25(29)28(38)13-4-2-3-12-26(37-32(39)30-19-34-20-41-30)31-35-18-27(36-31)24-16-15-22-9-5-6-10-23(22)17-24;1-19-11-14-23(32)28(29(19)33)26(38)10-4-2-3-9-24(37-31(39)27-17-34-18-40-27)30-35-16-25(36-30)22-13-12-20-7-5-6-8-21(20)15-22;1-19-13-25(33)23(15-24(19)32)28(38)10-4-2-3-9-26(37-31(39)29-17-34-18-40-29)30-35-16-27(36-30)22-12-11-20-7-5-6-8-21(20)14-22;31-22-12-13-24(32)23(15-22)27(37)9-3-1-2-8-25(36-30(38)28-17-33-18-39-28)29-34-16-26(35-29)21-11-10-19-6-4-5-7-20(19)14-21;1-17-25(33-37-32-17)23(34)10-4-2-3-9-21(31-27(35)24-15-28-16-36-24)26-29-14-22(30-26)20-12-11-18-7-5-6-8-19(18)13-20/h5-11,14-20,25H,2-4,12-13H2,1H3,(H,36,37)(H,38,40);5-11,14-21,26H,2-4,12-13H2,1H3,(H,35,36)(H,37,39);5-8,11-18,24H,2-4,9-10,33H2,1H3,(H,35,36)(H,37,39);5-8,11-18,26H,2-4,9-10,33H2,1H3,(H,35,36)(H,37,39);4-7,10-18,25H,1-3,8-9,32H2,(H,34,35)(H,36,38);5-8,11-16,21H,2-4,9-10H2,1H3,(H,29,30)(H,31,35)/t25-;21?,26-;24-;26-;25-;21-/m000000/s1
InChIKeyZUZNPUUNOVNWEL-SSCUPFDTSA-N
MW3343.06 g/mol
LogP42.57
Rot. Bonds70

About N-[(1S)-7-(2-amino-5-fluoro-4-methylphenyl)-1-(5-naphthalen-2-yl-1H-imidazol-2-yl)-7-oxoheptyl]-1,3-thiazole-5-carboxamide;N-[(1S)-7-(2-amino-6-fluoro-3-methylphenyl)-1-(5-naphthalen-2-yl-1H-imidazol-2-yl)-7-oxoheptyl]-1,3-thiazole-5-carboxamide;N-[(1S)-7-(2-amino-5-fluorophenyl)-1-(5-naphthalen-2-yl-1H-imidazol-2-yl)-7-oxoheptyl]-1,3-thiazole-5-carboxamide;N-[(1S)-7-[2-(1,1-difluoroethoxy)phenyl]-1-(5-naphthalen-2-yl-1H-imidazol-2-yl)-7-oxoheptyl]-1,3-thiazole-5-carboxamide;N-[(1S)-7-[2-(1-fluoroethoxy)phenyl]-1-(5-naphthalen-2-yl-1H-imidazol-2-yl)-7-oxoheptyl]-1,3-thiazole-5-carboxamide;N-[(1S)-7-(4-methyl-1,2,5-thiadiazol-3-yl)-1-(5-naphthalen-2-yl-1H-imidazol-2-yl)-7-oxoheptyl]-1,3-thiazole-5-carboxamide

N-[(1S)-7-(2-amino-5-fluoro-4-methylphenyl)-1-(5-naphthalen-2-yl-1H-imidazol-2-yl)-7-oxoheptyl]-1,3-thiazole-5-carboxamide;N-[(1S)-7-(2-amino-6-fluoro-3-methylphenyl)-1-(5-naphthalen-2-yl-1H-imidazol-2-yl)-7-oxoheptyl]-1,3-thiazole-5-carboxamide;N-[(1S)-7-(2-amino-5-fluorophenyl)-1-(5-naphthalen-2-yl-1H-imidazol-2-yl)-7-oxoheptyl]-1,3-thiazole-5-carboxamide;N-[(1S)-7-[2-(1,1-difluoroethoxy)phenyl]-1-(5-naphthalen-2-yl-1H-imidazol-2-yl)-7-oxoheptyl]-1,3-thiazole-5-carboxamide;N-[(1S)-7-[2-(1-fluoroethoxy)phenyl]-1-(5-naphthalen-2-yl-1H-imidazol-2-yl)-7-oxoheptyl]-1,3-thiazole-5-carboxamide;N-[(1S)-7-(4-methyl-1,2,5-thiadiazol-3-yl)-1-(5-naphthalen-2-yl-1H-imidazol-2-yl)-7-oxoheptyl]-1,3-thiazole-5-carboxamide (PubChem CID 165110209) has the molecular formula C183H175F6N29O14S7 and a molecular weight of 3343.06 g/mol. Its IUPAC name is N-[(1S)-7-(2-amino-5-fluoro-4-methylphenyl)-1-(5-naphthalen-2-yl-1H-imidazol-2-yl)-7-oxoheptyl]-1,3-thiazole-5-carboxamide;N-[(1S)-7-(2-amino-6-fluoro-3-methylphenyl)-1-(5-naphthalen-2-yl-1H-imidazol-2-yl)-7-oxoheptyl]-1,3-thiazole-5-carboxamide;N-[(1S)-7-(2-amino-5-fluorophenyl)-1-(5-naphthalen-2-yl-1H-imidazol-2-yl)-7-oxoheptyl]-1,3-thiazole-5-carboxamide;N-[(1S)-7-[2-(1,1-difluoroethoxy)phenyl]-1-(5-naphthalen-2-yl-1H-imidazol-2-yl)-7-oxoheptyl]-1,3-thiazole-5-carboxamide;N-[(1S)-7-[2-(1-fluoroethoxy)phenyl]-1-(5-naphthalen-2-yl-1H-imidazol-2-yl)-7-oxoheptyl]-1,3-thiazole-5-carboxamide;N-[(1S)-7-(4-methyl-1,2,5-thiadiazol-3-yl)-1-(5-naphthalen-2-yl-1H-imidazol-2-yl)-7-oxoheptyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[(1S)-7-(2-amino-5-fluoro-4-methylphenyl)-1-(5-naphthalen-2-yl-1H-imidazol-2-yl)-7-oxoheptyl]-1,3-thiazole-5-carboxamide;N-[(1S)-7-(2-amino-6-fluoro-3-methylphenyl)-1-(5-naphthalen-2-yl-1H-imidazol-2-yl)-7-oxoheptyl]-1,3-thiazole-5-carboxamide;N-[(1S)-7-(2-amino-5-fluorophenyl)-1-(5-naphthalen-2-yl-1H-imidazol-2-yl)-7-oxoheptyl]-1,3-thiazole-5-carboxamide;N-[(1S)-7-[2-(1,1-difluoroethoxy)phenyl]-1-(5-naphthalen-2-yl-1H-imidazol-2-yl)-7-oxoheptyl]-1,3-thiazole-5-carboxamide;N-[(1S)-7-[2-(1-fluoroethoxy)phenyl]-1-(5-naphthalen-2-yl-1H-imidazol-2-yl)-7-oxoheptyl]-1,3-thiazole-5-carboxamide;N-[(1S)-7-(4-methyl-1,2,5-thiadiazol-3-yl)-1-(5-naphthalen-2-yl-1H-imidazol-2-yl)-7-oxoheptyl]-1,3-thiazole-5-carboxamide
PubChem CID165110209
Molecular FormulaC183H175F6N29O14S7
Molecular Weight3343.06 g/mol
Exact Mass3340.18
IUPAC NameN-[(1S)-7-(2-amino-5-fluoro-4-methylphenyl)-1-(5-naphthalen-2-yl-1H-imidazol-2-yl)-7-oxoheptyl]-1,3-thiazole-5-carboxamide;N-[(1S)-7-(2-amino-6-fluoro-3-methylphenyl)-1-(5-naphthalen-2-yl-1H-imidazol-2-yl)-7-oxoheptyl]-1,3-thiazole-5-carboxamide;N-[(1S)-7-(2-amino-5-fluorophenyl)-1-(5-naphthalen-2-yl-1H-imidazol-2-yl)-7-oxoheptyl]-1,3-thiazole-5-carboxamide;N-[(1S)-7-[2-(1,1-difluoroethoxy)phenyl]-1-(5-naphthalen-2-yl-1H-imidazol-2-yl)-7-oxoheptyl]-1,3-thiazole-5-carboxamide;N-[(1S)-7-[2-(1-fluoroethoxy)phenyl]-1-(5-naphthalen-2-yl-1H-imidazol-2-yl)-7-oxoheptyl]-1,3-thiazole-5-carboxamide;N-[(1S)-7-(4-methyl-1,2,5-thiadiazol-3-yl)-1-(5-naphthalen-2-yl-1H-imidazol-2-yl)-7-oxoheptyl]-1,3-thiazole-5-carboxamide
SMILESCC(F)(F)Oc1ccccc1C(=O)CCCCC[C@H](NC(=O)c1cncs1)c1ncc(-c2ccc3ccccc3c2)[nH]1.CC(F)Oc1ccccc1C(=O)CCCCC[C@H](NC(=O)c1cncs1)c1ncc(-c2ccc3ccccc3c2)[nH]1.Cc1cc(N)c(C(=O)CCCCC[C@H](NC(=O)c2cncs2)c2ncc(-c3ccc4ccccc4c3)[nH]2)cc1F.Cc1ccc(F)c(C(=O)CCCCC[C@H](NC(=O)c2cncs2)c2ncc(-c3ccc4ccccc4c3)[nH]2)c1N.Cc1nsnc1C(=O)CCCCC[C@H](NC(=O)c1cncs1)c1ncc(-c2ccc3ccccc3c2)[nH]1.Nc1ccc(F)cc1C(=O)CCCCC[C@H](NC(=O)c1cncs1)c1ncc(-c2ccc3ccccc3c2)[nH]1
InChIInChI=1S/C32H30F2N4O3S.C32H31FN4O3S.2C31H30FN5O2S.C30H28FN5O2S.C27H26N6O2S2/c1-32(33,34)41-28-14-8-7-11-24(28)27(39)13-4-2-3-12-25(38-31(40)29-19-35-20-42-29)30-36-18-26(37-30)23-16-15-21-9-5-6-10-22(21)17-23;1-21(33)40-29-14-8-7-11-25(29)28(38)13-4-2-3-12-26(37-32(39)30-19-34-20-41-30)31-35-18-27(36-31)24-16-15-22-9-5-6-10-23(22)17-24;1-19-11-14-23(32)28(29(19)33)26(38)10-4-2-3-9-24(37-31(39)27-17-34-18-40-27)30-35-16-25(36-30)22-13-12-20-7-5-6-8-21(20)15-22;1-19-13-25(33)23(15-24(19)32)28(38)10-4-2-3-9-26(37-31(39)29-17-34-18-40-29)30-35-16-27(36-30)22-12-11-20-7-5-6-8-21(20)14-22;31-22-12-13-24(32)23(15-22)27(37)9-3-1-2-8-25(36-30(38)28-17-33-18-39-28)29-34-16-26(35-29)21-11-10-19-6-4-5-7-20(19)14-21;1-17-25(33-37-32-17)23(34)10-4-2-3-9-21(31-27(35)24-15-28-16-36-24)26-29-14-22(30-26)20-12-11-18-7-5-6-8-19(18)13-20/h5-11,14-20,25H,2-4,12-13H2,1H3,(H,36,37)(H,38,40);5-11,14-21,26H,2-4,12-13H2,1H3,(H,35,36)(H,37,39);5-8,11-18,24H,2-4,9-10,33H2,1H3,(H,35,36)(H,37,39);5-8,11-18,26H,2-4,9-10,33H2,1H3,(H,35,36)(H,37,39);4-7,10-18,25H,1-3,8-9,32H2,(H,34,35)(H,36,38);5-8,11-16,21H,2-4,9-10H2,1H3,(H,29,30)(H,31,35)/t25-;21?,26-;24-;26-;25-;21-/m000000/s1
InChIKeyZUZNPUUNOVNWEL-SSCUPFDTSA-N
XLogP42.57
TPSA648.74 Ų
H-Bond Donors15
H-Bond Acceptors38
Rotatable Bonds70
Heavy Atoms239
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003343.06
LogP ≤ 542.57
H-Bond Donors ≤ 515
H-Bond Acceptors ≤ 1038

Computed Properties (RDKit)

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

Analyze N-[(1S)-7-(2-amino-5-fluoro-4-methylphenyl)-1-(5-naphthalen-2-yl-1H-imidazol-2-yl)-7-oxoheptyl]-1,3-thiazole-5-carboxamide;N-[(1S)-7-(2-amino-6-fluoro-3-methylphenyl)-1-(5-naphthalen-2-yl-1H-imidazol-2-yl)-7-oxoheptyl]-1,3-thiazole-5-carboxamide;N-[(1S)-7-(2-amino-5-fluorophenyl)-1-(5-naphthalen-2-yl-1H-imidazol-2-yl)-7-oxoheptyl]-1,3-thiazole-5-carboxamide;N-[(1S)-7-[2-(1,1-difluoroethoxy)phenyl]-1-(5-naphthalen-2-yl-1H-imidazol-2-yl)-7-oxoheptyl]-1,3-thiazole-5-carboxamide;N-[(1S)-7-[2-(1-fluoroethoxy)phenyl]-1-(5-naphthalen-2-yl-1H-imidazol-2-yl)-7-oxoheptyl]-1,3-thiazole-5-carboxamide;N-[(1S)-7-(4-methyl-1,2,5-thiadiazol-3-yl)-1-(5-naphthalen-2-yl-1H-imidazol-2-yl)-7-oxoheptyl]-1,3-thiazole-5-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(1S)-7-(2-amino-5-fluoro-4-methylphenyl)-1-(5-naphthalen-2-yl-1H-imidazol-2-yl)-7-oxoheptyl]-1,3-thiazole-5-carboxamide;N-[(1S)-7-(2-amino-6-fluoro-3-methylphenyl)-1-(5-naphthalen-2-yl-1H-imidazol-2-yl)-7-oxoheptyl]-1,3-thiazole-5-carboxamide;N-[(1S)-7-(2-amino-5-fluorophenyl)-1-(5-naphthalen-2-yl-1H-imidazol-2-yl)-7-oxoheptyl]-1,3-thiazole-5-carboxamide;N-[(1S)-7-[2-(1,1-difluoroethoxy)phenyl]-1-(5-naphthalen-2-yl-1H-imidazol-2-yl)-7-oxoheptyl]-1,3-thiazole-5-carboxamide;N-[(1S)-7-[2-(1-fluoroethoxy)phenyl]-1-(5-naphthalen-2-yl-1H-imidazol-2-yl)-7-oxoheptyl]-1,3-thiazole-5-carboxamide;N-[(1S)-7-(4-methyl-1,2,5-thiadiazol-3-yl)-1-(5-naphthalen-2-yl-1H-imidazol-2-yl)-7-oxoheptyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[(1S)-7-(2-amino-5-fluoro-4-methylphenyl)-1-(5-naphthalen-2-yl-1H-imidazol-2-yl)-7-oxoheptyl]-1,3-thiazole-5-carboxamide;N-[(1S)-7-(2-amino-6-fluoro-3-methylphenyl)-1-(5-naphthalen-2-yl-1H-imidazol-2-yl)-7-oxoheptyl]-1,3-thiazole-5-carboxamide;N-[(1S)-7-(2-amino-5-fluorophenyl)-1-(5-naphthalen-2-yl-1H-imidazol-2-yl)-7-oxoheptyl]-1,3-thiazole-5-carboxamide;N-[(1S)-7-[2-(1,1-difluoroethoxy)phenyl]-1-(5-naphthalen-2-yl-1H-imidazol-2-yl)-7-oxoheptyl]-1,3-thiazole-5-carboxamide;N-[(1S)-7-[2-(1-fluoroethoxy)phenyl]-1-(5-naphthalen-2-yl-1H-imidazol-2-yl)-7-oxoheptyl]-1,3-thiazole-5-carboxamide;N-[(1S)-7-(4-methyl-1,2,5-thiadiazol-3-yl)-1-(5-naphthalen-2-yl-1H-imidazol-2-yl)-7-oxoheptyl]-1,3-thiazole-5-carboxamide (CID 165110209) is N-[(1S)-7-(2-amino-5-fluoro-4-methylphenyl)-1-(5-naphthalen-2-yl-1H-imidazol-2-yl)-7-oxoheptyl]-1,3-thiazole-5-carboxamide;N-[(1S)-7-(2-amino-6-fluoro-3-methylphenyl)-1-(5-naphthalen-2-yl-1H-imidazol-2-yl)-7-oxoheptyl]-1,3-thiazole-5-carboxamide;N-[(1S)-7-(2-amino-5-fluorophenyl)-1-(5-naphthalen-2-yl-1H-imidazol-2-yl)-7-oxoheptyl]-1,3-thiazole-5-carboxamide;N-[(1S)-7-[2-(1,1-difluoroethoxy)phenyl]-1-(5-naphthalen-2-yl-1H-imidazol-2-yl)-7-oxoheptyl]-1,3-thiazole-5-carboxamide;N-[(1S)-7-[2-(1-fluoroethoxy)phenyl]-1-(5-naphthalen-2-yl-1H-imidazol-2-yl)-7-oxoheptyl]-1,3-thiazole-5-carboxamide;N-[(1S)-7-(4-methyl-1,2,5-thiadiazol-3-yl)-1-(5-naphthalen-2-yl-1H-imidazol-2-yl)-7-oxoheptyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[(1S)-7-(2-amino-5-fluoro-4-methylphenyl)-1-(5-naphthalen-2-yl-1H-imidazol-2-yl)-7-oxoheptyl]-1,3-thiazole-5-carboxamide;N-[(1S)-7-(2-amino-6-fluoro-3-methylphenyl)-1-(5-naphthalen-2-yl-1H-imidazol-2-yl)-7-oxoheptyl]-1,3-thiazole-5-carboxamide;N-[(1S)-7-(2-amino-5-fluorophenyl)-1-(5-naphthalen-2-yl-1H-imidazol-2-yl)-7-oxoheptyl]-1,3-thiazole-5-carboxamide;N-[(1S)-7-[2-(1,1-difluoroethoxy)phenyl]-1-(5-naphthalen-2-yl-1H-imidazol-2-yl)-7-oxoheptyl]-1,3-thiazole-5-carboxamide;N-[(1S)-7-[2-(1-fluoroethoxy)phenyl]-1-(5-naphthalen-2-yl-1H-imidazol-2-yl)-7-oxoheptyl]-1,3-thiazole-5-carboxamide;N-[(1S)-7-(4-methyl-1,2,5-thiadiazol-3-yl)-1-(5-naphthalen-2-yl-1H-imidazol-2-yl)-7-oxoheptyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[(1S)-7-(2-amino-5-fluoro-4-methylphenyl)-1-(5-naphthalen-2-yl-1H-imidazol-2-yl)-7-oxoheptyl]-1,3-thiazole-5-carboxamide;N-[(1S)-7-(2-amino-6-fluoro-3-methylphenyl)-1-(5-naphthalen-2-yl-1H-imidazol-2-yl)-7-oxoheptyl]-1,3-thiazole-5-carboxamide;N-[(1S)-7-(2-amino-5-fluorophenyl)-1-(5-naphthalen-2-yl-1H-imidazol-2-yl)-7-oxoheptyl]-1,3-thiazole-5-carboxamide;N-[(1S)-7-[2-(1,1-difluoroethoxy)phenyl]-1-(5-naphthalen-2-yl-1H-imidazol-2-yl)-7-oxoheptyl]-1,3-thiazole-5-carboxamide;N-[(1S)-7-[2-(1-fluoroethoxy)phenyl]-1-(5-naphthalen-2-yl-1H-imidazol-2-yl)-7-oxoheptyl]-1,3-thiazole-5-carboxamide;N-[(1S)-7-(4-methyl-1,2,5-thiadiazol-3-yl)-1-(5-naphthalen-2-yl-1H-imidazol-2-yl)-7-oxoheptyl]-1,3-thiazole-5-carboxamide is CC(F)(F)Oc1ccccc1C(=O)CCCCC[C@H](NC(=O)c1cncs1)c1ncc(-c2ccc3ccccc3c2)[nH]1.CC(F)Oc1ccccc1C(=O)CCCCC[C@H](NC(=O)c1cncs1)c1ncc(-c2ccc3ccccc3c2)[nH]1.Cc1cc(N)c(C(=O)CCCCC[C@H](NC(=O)c2cncs2)c2ncc(-c3ccc4ccccc4c3)[nH]2)cc1F.Cc1ccc(F)c(C(=O)CCCCC[C@H](NC(=O)c2cncs2)c2ncc(-c3ccc4ccccc4c3)[nH]2)c1N.Cc1nsnc1C(=O)CCCCC[C@H](NC(=O)c1cncs1)c1ncc(-c2ccc3ccccc3c2)[nH]1.Nc1ccc(F)cc1C(=O)CCCCC[C@H](NC(=O)c1cncs1)c1ncc(-c2ccc3ccccc3c2)[nH]1.
What is the InChIKey of N-[(1S)-7-(2-amino-5-fluoro-4-methylphenyl)-1-(5-naphthalen-2-yl-1H-imidazol-2-yl)-7-oxoheptyl]-1,3-thiazole-5-carboxamide;N-[(1S)-7-(2-amino-6-fluoro-3-methylphenyl)-1-(5-naphthalen-2-yl-1H-imidazol-2-yl)-7-oxoheptyl]-1,3-thiazole-5-carboxamide;N-[(1S)-7-(2-amino-5-fluorophenyl)-1-(5-naphthalen-2-yl-1H-imidazol-2-yl)-7-oxoheptyl]-1,3-thiazole-5-carboxamide;N-[(1S)-7-[2-(1,1-difluoroethoxy)phenyl]-1-(5-naphthalen-2-yl-1H-imidazol-2-yl)-7-oxoheptyl]-1,3-thiazole-5-carboxamide;N-[(1S)-7-[2-(1-fluoroethoxy)phenyl]-1-(5-naphthalen-2-yl-1H-imidazol-2-yl)-7-oxoheptyl]-1,3-thiazole-5-carboxamide;N-[(1S)-7-(4-methyl-1,2,5-thiadiazol-3-yl)-1-(5-naphthalen-2-yl-1H-imidazol-2-yl)-7-oxoheptyl]-1,3-thiazole-5-carboxamide?
The InChIKey is ZUZNPUUNOVNWEL-SSCUPFDTSA-N. The full InChI is InChI=1S/C32H30F2N4O3S.C32H31FN4O3S.2C31H30FN5O2S.C30H28FN5O2S.C27H26N6O2S2/c1-32(33,34)41-28-14-8-7-11-24(28)27(39)13-4-2-3-12-25(38-31(40)29-19-35-20-42-29)30-36-18-26(37-30)23-16-15-21-9-5-6-10-22(21)17-23;1-21(33)40-29-14-8-7-11-25(29)28(38)13-4-2-3-12-26(37-32(39)30-19-34-20-41-30)31-35-18-27(36-31)24-16-15-22-9-5-6-10-23(22)17-24;1-19-11-14-23(32)28(29(19)33)26(38)10-4-2-3-9-24(37-31(39)27-17-34-18-40-27)30-35-16-25(36-30)22-13-12-20-7-5-6-8-21(20)15-22;1-19-13-25(33)23(15-24(19)32)28(38)10-4-2-3-9-26(37-31(39)29-17-34-18-40-29)30-35-16-27(36-30)22-12-11-20-7-5-6-8-21(20)14-22;31-22-12-13-24(32)23(15-22)27(37)9-3-1-2-8-25(36-30(38)28-17-33-18-39-28)29-34-16-26(35-29)21-11-10-19-6-4-5-7-20(19)14-21;1-17-25(33-37-32-17)23(34)10-4-2-3-9-21(31-27(35)24-15-28-16-36-24)26-29-14-22(30-26)20-12-11-18-7-5-6-8-19(18)13-20/h5-11,14-20,25H,2-4,12-13H2,1H3,(H,36,37)(H,38,40);5-11,14-21,26H,2-4,12-13H2,1H3,(H,35,36)(H,37,39);5-8,11-18,24H,2-4,9-10,33H2,1H3,(H,35,36)(H,37,39);5-8,11-18,26H,2-4,9-10,33H2,1H3,(H,35,36)(H,37,39);4-7,10-18,25H,1-3,8-9,32H2,(H,34,35)(H,36,38);5-8,11-16,21H,2-4,9-10H2,1H3,(H,29,30)(H,31,35)/t25-;21?,26-;24-;26-;25-;21-/m000000/s1.
What are the key properties of N-[(1S)-7-(2-amino-5-fluoro-4-methylphenyl)-1-(5-naphthalen-2-yl-1H-imidazol-2-yl)-7-oxoheptyl]-1,3-thiazole-5-carboxamide;N-[(1S)-7-(2-amino-6-fluoro-3-methylphenyl)-1-(5-naphthalen-2-yl-1H-imidazol-2-yl)-7-oxoheptyl]-1,3-thiazole-5-carboxamide;N-[(1S)-7-(2-amino-5-fluorophenyl)-1-(5-naphthalen-2-yl-1H-imidazol-2-yl)-7-oxoheptyl]-1,3-thiazole-5-carboxamide;N-[(1S)-7-[2-(1,1-difluoroethoxy)phenyl]-1-(5-naphthalen-2-yl-1H-imidazol-2-yl)-7-oxoheptyl]-1,3-thiazole-5-carboxamide;N-[(1S)-7-[2-(1-fluoroethoxy)phenyl]-1-(5-naphthalen-2-yl-1H-imidazol-2-yl)-7-oxoheptyl]-1,3-thiazole-5-carboxamide;N-[(1S)-7-(4-methyl-1,2,5-thiadiazol-3-yl)-1-(5-naphthalen-2-yl-1H-imidazol-2-yl)-7-oxoheptyl]-1,3-thiazole-5-carboxamide?
N-[(1S)-7-(2-amino-5-fluoro-4-methylphenyl)-1-(5-naphthalen-2-yl-1H-imidazol-2-yl)-7-oxoheptyl]-1,3-thiazole-5-carboxamide;N-[(1S)-7-(2-amino-6-fluoro-3-methylphenyl)-1-(5-naphthalen-2-yl-1H-imidazol-2-yl)-7-oxoheptyl]-1,3-thiazole-5-carboxamide;N-[(1S)-7-(2-amino-5-fluorophenyl)-1-(5-naphthalen-2-yl-1H-imidazol-2-yl)-7-oxoheptyl]-1,3-thiazole-5-carboxamide;N-[(1S)-7-[2-(1,1-difluoroethoxy)phenyl]-1-(5-naphthalen-2-yl-1H-imidazol-2-yl)-7-oxoheptyl]-1,3-thiazole-5-carboxamide;N-[(1S)-7-[2-(1-fluoroethoxy)phenyl]-1-(5-naphthalen-2-yl-1H-imidazol-2-yl)-7-oxoheptyl]-1,3-thiazole-5-carboxamide;N-[(1S)-7-(4-methyl-1,2,5-thiadiazol-3-yl)-1-(5-naphthalen-2-yl-1H-imidazol-2-yl)-7-oxoheptyl]-1,3-thiazole-5-carboxamide has a molecular weight of 3343.06 g/mol, XLogP of 42.57, 70 rotatable bonds, 15 hydrogen bond donors, and 38 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-7-(2-amino-5-fluoro-4-methylphenyl)-1-(5-naphthalen-2-yl-1H-imidazol-2-yl)-7-oxoheptyl]-1,3-thiazole-5-carboxamide;N-[(1S)-7-(2-amino-6-fluoro-3-methylphenyl)-1-(5-naphthalen-2-yl-1H-imidazol-2-yl)-7-oxoheptyl]-1,3-thiazole-5-carboxamide;N-[(1S)-7-(2-amino-5-fluorophenyl)-1-(5-naphthalen-2-yl-1H-imidazol-2-yl)-7-oxoheptyl]-1,3-thiazole-5-carboxamide;N-[(1S)-7-[2-(1,1-difluoroethoxy)phenyl]-1-(5-naphthalen-2-yl-1H-imidazol-2-yl)-7-oxoheptyl]-1,3-thiazole-5-carboxamide;N-[(1S)-7-[2-(1-fluoroethoxy)phenyl]-1-(5-naphthalen-2-yl-1H-imidazol-2-yl)-7-oxoheptyl]-1,3-thiazole-5-carboxamide;N-[(1S)-7-(4-methyl-1,2,5-thiadiazol-3-yl)-1-(5-naphthalen-2-yl-1H-imidazol-2-yl)-7-oxoheptyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 165110209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).