N-[1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethyl]-4-(1,1-difluoroethyl)-5-methyl-1,3-thiazol-2-amine;N-[(1R)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethyl]-4,5-dimethyl-1,3-thiazol-2-amine;N-[(1S)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethyl]-4,5-dimethyl-1,3-thiazol-2-amine;N-[1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethyl]-5-methyl-1,3-thiazol-2-amine;N-[(1S)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethyl]-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine

C127H100Cl5F22N15S5 — CID 158394154

IUPACN-[1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethyl]-4-(1,1-difluoroethyl)-5-methyl-1,3-thiazol-2-amine;N-[(1R)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethyl]-4,5-dimethyl-1,3-thiazol-2-amine;N-[(1S)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethyl]-4,5-dimethyl-1,3-thiazol-2-amine;N-[1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethyl]-5-methyl-1,3-thiazol-2-amine;N-[(1S)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethyl]-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine
SMILESCc1cnc(NC(Cc2ccccc2)(c2cc(F)cc(C(F)(F)F)c2)c2ccc(Cl)cn2)s1.Cc1nc(N[C@@](Cc2ccccc2)(c2cc(F)cc(C(F)(F)F)c2)c2ccc(Cl)cn2)sc1C.Cc1nc(N[C@](Cc2ccccc2)(c2cc(F)cc(C(F)(F)F)c2)c2ccc(Cl)cn2)sc1C.Cc1sc(NC(Cc2ccccc2)(c2cc(F)cc(C(F)(F)F)c2)c2ccc(Cl)cn2)nc1C(C)(F)F.Fc1cc(C(F)(F)F)cc([C@](Cc2ccccc2)(Nc2nc3c(s2)CCCC3)c2ccc(Cl)cn2)c1
InChIInChI=1S/C27H22ClF4N3S.C26H20ClF6N3S.2C25H20ClF4N3S.C24H18ClF4N3S/c28-20-10-11-24(33-16-20)26(15-17-6-2-1-3-7-17,18-12-19(27(30,31)32)14-21(29)13-18)35-25-34-22-8-4-5-9-23(22)36-25;1-15-22(24(2,29)30)35-23(37-15)36-25(13-16-6-4-3-5-7-16,21-9-8-19(27)14-34-21)17-10-18(26(31,32)33)12-20(28)11-17;2*1-15-16(2)34-23(32-15)33-24(13-17-6-4-3-5-7-17,22-9-8-20(26)14-31-22)18-10-19(25(28,29)30)12-21(27)11-18;1-15-13-31-22(33-15)32-23(12-16-5-3-2-4-6-16,21-8-7-19(25)14-30-21)17-9-18(24(27,28)29)11-20(26)10-17/h1-3,6-7,10-14,16H,4-5,8-9,15H2,(H,34,35);3-12,14H,13H2,1-2H3,(H,35,36);2*3-12,14H,13H2,1-2H3,(H,32,33);2-11,13-14H,12H2,1H3,(H,31,32)/t26-;;2*24-;/m0.10./s1
InChIKeyGXIJLMIXNNCCTI-UWXNYFFMSA-N
MW2591.86 g/mol
LogP38.58
Rot. Bonds31

About N-[1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethyl]-4-(1,1-difluoroethyl)-5-methyl-1,3-thiazol-2-amine;N-[(1R)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethyl]-4,5-dimethyl-1,3-thiazol-2-amine;N-[(1S)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethyl]-4,5-dimethyl-1,3-thiazol-2-amine;N-[1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethyl]-5-methyl-1,3-thiazol-2-amine;N-[(1S)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethyl]-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine

N-[1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethyl]-4-(1,1-difluoroethyl)-5-methyl-1,3-thiazol-2-amine;N-[(1R)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethyl]-4,5-dimethyl-1,3-thiazol-2-amine;N-[(1S)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethyl]-4,5-dimethyl-1,3-thiazol-2-amine;N-[1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethyl]-5-methyl-1,3-thiazol-2-amine;N-[(1S)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethyl]-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine (PubChem CID 158394154) has the molecular formula C127H100Cl5F22N15S5 and a molecular weight of 2591.86 g/mol. Its IUPAC name is N-[1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethyl]-4-(1,1-difluoroethyl)-5-methyl-1,3-thiazol-2-amine;N-[(1R)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethyl]-4,5-dimethyl-1,3-thiazol-2-amine;N-[(1S)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethyl]-4,5-dimethyl-1,3-thiazol-2-amine;N-[1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethyl]-5-methyl-1,3-thiazol-2-amine;N-[(1S)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethyl]-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine.

Molecular Properties

Compound NameN-[1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethyl]-4-(1,1-difluoroethyl)-5-methyl-1,3-thiazol-2-amine;N-[(1R)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethyl]-4,5-dimethyl-1,3-thiazol-2-amine;N-[(1S)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethyl]-4,5-dimethyl-1,3-thiazol-2-amine;N-[1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethyl]-5-methyl-1,3-thiazol-2-amine;N-[(1S)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethyl]-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine
PubChem CID158394154
Molecular FormulaC127H100Cl5F22N15S5
Molecular Weight2591.86 g/mol
Exact Mass2587.50
IUPAC NameN-[1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethyl]-4-(1,1-difluoroethyl)-5-methyl-1,3-thiazol-2-amine;N-[(1R)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethyl]-4,5-dimethyl-1,3-thiazol-2-amine;N-[(1S)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethyl]-4,5-dimethyl-1,3-thiazol-2-amine;N-[1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethyl]-5-methyl-1,3-thiazol-2-amine;N-[(1S)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethyl]-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine
SMILESCc1cnc(NC(Cc2ccccc2)(c2cc(F)cc(C(F)(F)F)c2)c2ccc(Cl)cn2)s1.Cc1nc(N[C@@](Cc2ccccc2)(c2cc(F)cc(C(F)(F)F)c2)c2ccc(Cl)cn2)sc1C.Cc1nc(N[C@](Cc2ccccc2)(c2cc(F)cc(C(F)(F)F)c2)c2ccc(Cl)cn2)sc1C.Cc1sc(NC(Cc2ccccc2)(c2cc(F)cc(C(F)(F)F)c2)c2ccc(Cl)cn2)nc1C(C)(F)F.Fc1cc(C(F)(F)F)cc([C@](Cc2ccccc2)(Nc2nc3c(s2)CCCC3)c2ccc(Cl)cn2)c1
InChIInChI=1S/C27H22ClF4N3S.C26H20ClF6N3S.2C25H20ClF4N3S.C24H18ClF4N3S/c28-20-10-11-24(33-16-20)26(15-17-6-2-1-3-7-17,18-12-19(27(30,31)32)14-21(29)13-18)35-25-34-22-8-4-5-9-23(22)36-25;1-15-22(24(2,29)30)35-23(37-15)36-25(13-16-6-4-3-5-7-16,21-9-8-19(27)14-34-21)17-10-18(26(31,32)33)12-20(28)11-17;2*1-15-16(2)34-23(32-15)33-24(13-17-6-4-3-5-7-17,22-9-8-20(26)14-31-22)18-10-19(25(28,29)30)12-21(27)11-18;1-15-13-31-22(33-15)32-23(12-16-5-3-2-4-6-16,21-8-7-19(25)14-30-21)17-9-18(24(27,28)29)11-20(26)10-17/h1-3,6-7,10-14,16H,4-5,8-9,15H2,(H,34,35);3-12,14H,13H2,1-2H3,(H,35,36);2*3-12,14H,13H2,1-2H3,(H,32,33);2-11,13-14H,12H2,1H3,(H,31,32)/t26-;;2*24-;/m0.10./s1
InChIKeyGXIJLMIXNNCCTI-UWXNYFFMSA-N
XLogP38.58
TPSA189.05 Ų
H-Bond Donors5
H-Bond Acceptors20
Rotatable Bonds31
Heavy Atoms174
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002591.86
LogP ≤ 538.58
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1020

Analyze N-[1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethyl]-4-(1,1-difluoroethyl)-5-methyl-1,3-thiazol-2-amine;N-[(1R)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethyl]-4,5-dimethyl-1,3-thiazol-2-amine;N-[(1S)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethyl]-4,5-dimethyl-1,3-thiazol-2-amine;N-[1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethyl]-5-methyl-1,3-thiazol-2-amine;N-[(1S)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethyl]-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine with MolForge

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Launch Full Analysis

Related Compounds

N-[1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethyl]-4-(1,1-difluoroethyl)-5-methyl-1,3-thiazol-2-amine;N-[(1S)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethyl]-4,5-dimethyl-1,3-thiazol-2-amine
CID 91526377
N-(1,3-benzothiazol-2-yl)-4-(3-chloropyrazin-2-yl)-4-(trifluoromethyl)piperidine-1-carboxamide;4-(3-chloropyrazin-2-yl)-N-(5-fluoro-1,3-benzothiazol-2-yl)-4-(trifluoromethyl)piperidine-1-carboxamide;4-(3-chloropyrazin-2-yl)-N-(5-methyl-1,3-benzothiazol-2-yl)-4-(trifluoromethyl)piperidine-1-carboxamide;4-(3-chloropyrazin-2-yl)-N-(6-methyl-1,3-benzothiazol-2-yl)-4-(trifluoromethyl)piperidine-1-carboxamide;4-(3-chloropyrazin-2-yl)-4-(trifluoromethyl)-N-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]piperidine-1-carboxamide;4-(3-chloropyrazin-2-yl)-4-(trifluoromethyl)-N-[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]piperidine-1-carboxamide
CID 157057561
N-(1,3-benzothiazol-2-yl)-4-(3-chloropyrazin-2-yl)-4-fluoropiperidine-1-carboxamide;4-(3-chloropyrazin-2-yl)-4-fluoro-N-(5-fluoro-1,3-benzothiazol-2-yl)piperidine-1-carboxamide;4-(3-chloropyrazin-2-yl)-4-fluoro-N-(5-methyl-1,3-benzothiazol-2-yl)piperidine-1-carboxamide;4-(3-chloropyrazin-2-yl)-4-fluoro-N-(6-methyl-1,3-benzothiazol-2-yl)piperidine-1-carboxamide;4-(3-chloropyrazin-2-yl)-4-fluoro-N-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]piperidine-1-carboxamide;4-(3-chloropyrazin-2-yl)-4-fluoro-N-[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]piperidine-1-carboxamide
CID 158821402
4-tert-butyl-N-[1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethyl]-1,3-thiazol-2-amine;N-[1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethyl]-1,3-benzothiazol-2-amine;N-[1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethyl]-4-(1,1,2,2-tetrafluoropropyl)-1,3-thiazol-2-amine;N-[1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethyl]-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine;methyl 2-[[1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethyl]amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 160293629
(2R)-N-(6-chloro-1,3-benzothiazol-2-yl)-2-methyl-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide;6-chloro-N-[1-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]ethenyl]-1,3-benzothiazol-2-amine;4-(3-chloro-2-pyridinyl)-N-(6-methyl-1,3-benzothiazol-2-yl)piperazine-1-carboxamide;N-[1-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]ethenyl]-6-methyl-1,3-benzothiazol-2-amine;formaldehyde;(2R)-2-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide
CID 160799920
N-[7-(4-chloro-3-pyridinyl)-1,6-naphthyridin-5-yl]-2-cyclopropyl-1,3-benzothiazol-6-amine;N-[7-(5-chloro-3-pyridinyl)-1,6-naphthyridin-5-yl]-2-cyclopropyl-1,3-benzothiazol-6-amine;2-cyclopropyl-N-[7-(5-fluoro-3-pyridinyl)-1,6-naphthyridin-5-yl]-1,3-benzothiazol-6-amine;2-cyclopropyl-N-[7-[4-(trifluoromethyl)-3-pyridinyl]-1,6-naphthyridin-5-yl]-1,3-benzothiazol-6-amine;2-cyclopropyl-N-[7-[5-(trifluoromethyl)-3-pyridinyl]-1,6-naphthyridin-5-yl]-1,3-benzothiazol-6-amine
CID 165069514
N-[1-(5-chloro-2-pyridinyl)-2-[4-[2-[[1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethyl]amino]-4-(1,1,2,2,2-pentafluoroethyl)-1,3-thiazol-5-yl]phenyl]-1-[3-fluoro-5-(trifluoromethyl)phenyl]ethyl]-1,3-benzothiazol-2-amine
CID 162553495
N-[3-[(1E)-2-chlorobuta-1,3-dienyl]imino-2-[3-fluoro-5-(trifluoromethyl)phenyl]-1-phenylbutan-2-yl]-5-[[3-[2-(5-chloro-2-pyridinyl)-2-[(4-ethyl-1,3-thiazol-2-yl)amino]-2-[3-fluoro-5-(trifluoromethyl)phenyl]ethyl]phenyl]methyl]-4-methyl-1,3-thiazol-2-amine
CID 162553496
5-(1,3-benzothiazol-6-yl)-N-[(6-chloro-3-pyridinyl)methyl]-6-(4-fluoro-3-methylphenyl)pyridin-3-amine;5-(1,3-benzothiazol-6-yl)-N-[(2-ethyl-1H-imidazol-5-yl)methyl]-6-(4-fluoro-3-methylphenyl)pyridin-3-amine;5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-N-(1H-imidazol-5-ylmethyl)pyridin-3-amine;5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-N-[3-(4-methylpiperazin-1-yl)propyl]pyridin-3-amine;5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-N-[(6-methyl-3-pyridinyl)methyl]pyridin-3-amine;6-[2-(4-fluoro-3-methylphenyl)-5-(4-methylpiperazin-1-yl)-3-pyridinyl]-1,3-benzothiazole
CID 159250320
5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-N-(pyridin-3-ylmethyl)pyridin-3-amine;5-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-[1,3]thiazolo[5,4-b]pyridin-2-amine;5-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-[1,3]thiazolo[5,4-b]pyridine;5-[2-(3-chlorophenyl)-3-pyridinyl]-[1,3]thiazolo[5,4-b]pyridin-2-amine;5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-[1,3]thiazolo[5,4-b]pyridine;N-[4-[[[6-(4-fluoro-3-methylphenyl)-5-quinoxalin-6-yl-3-pyridinyl]amino]methyl]phenyl]formamide;5-[2-(3-methylphenyl)-3-pyridinyl]-[1,3]thiazolo[5,4-b]pyridine
CID 159359788
N-[4-[2-[benzyl(ethyl)amino]ethyl]phenyl]-4-phenyl-1,3-thiazol-2-amine;N-[4-[2-[benzyl(methyl)amino]ethyl]phenyl]-4-pyridin-2-yl-1,3-thiazol-2-amine;N-[4-[2-[benzyl(methyl)amino]ethyl]phenyl]-4-pyridin-4-yl-1,3-thiazol-2-amine;N-[4-[2-[benzyl(methyl)amino]ethyl]phenyl]-5-pyridin-3-yl-1,3-thiazol-2-amine;N-[4-[2-(N-methylanilino)ethyl]phenyl]-4-pyridin-3-yl-1,3-thiazol-2-amine;N-[4-[2-[methyl(2-phenylethyl)amino]ethyl]phenyl]-4-pyridin-3-yl-1,3-thiazol-2-amine
CID 159994363
N-[(2S)-butan-2-yl]-5-[2-(2-methyl-1,3-thiazol-4-yl)ethynyl]pyridin-2-amine;4-[2-[6-(3-chloro-2-methylphenyl)-3-pyridinyl]ethynyl]-2-methyl-1,3-thiazole;4-[2-[6-(2,3-dimethylphenyl)-3-pyridinyl]ethynyl]-2-methyl-1,3-thiazole;4-[2-[6-(3-fluoropiperidin-1-yl)-3-pyridinyl]ethynyl]-2-methyl-1,3-thiazole;N-(2-methylbutan-2-yl)-5-[2-(2-methyl-1,3-thiazol-4-yl)ethynyl]pyridin-2-amine;2-methyl-4-[2-[6-(2-methylsulfanylphenyl)-3-pyridinyl]ethynyl]-1,3-thiazole
CID 160791693

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethyl]-4-(1,1-difluoroethyl)-5-methyl-1,3-thiazol-2-amine;N-[(1R)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethyl]-4,5-dimethyl-1,3-thiazol-2-amine;N-[(1S)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethyl]-4,5-dimethyl-1,3-thiazol-2-amine;N-[1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethyl]-5-methyl-1,3-thiazol-2-amine;N-[(1S)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethyl]-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine?
The IUPAC name of N-[1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethyl]-4-(1,1-difluoroethyl)-5-methyl-1,3-thiazol-2-amine;N-[(1R)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethyl]-4,5-dimethyl-1,3-thiazol-2-amine;N-[(1S)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethyl]-4,5-dimethyl-1,3-thiazol-2-amine;N-[1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethyl]-5-methyl-1,3-thiazol-2-amine;N-[(1S)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethyl]-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine (CID 158394154) is N-[1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethyl]-4-(1,1-difluoroethyl)-5-methyl-1,3-thiazol-2-amine;N-[(1R)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethyl]-4,5-dimethyl-1,3-thiazol-2-amine;N-[(1S)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethyl]-4,5-dimethyl-1,3-thiazol-2-amine;N-[1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethyl]-5-methyl-1,3-thiazol-2-amine;N-[(1S)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethyl]-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine.
What is the SMILES notation for N-[1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethyl]-4-(1,1-difluoroethyl)-5-methyl-1,3-thiazol-2-amine;N-[(1R)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethyl]-4,5-dimethyl-1,3-thiazol-2-amine;N-[(1S)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethyl]-4,5-dimethyl-1,3-thiazol-2-amine;N-[1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethyl]-5-methyl-1,3-thiazol-2-amine;N-[(1S)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethyl]-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine?
The canonical SMILES for N-[1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethyl]-4-(1,1-difluoroethyl)-5-methyl-1,3-thiazol-2-amine;N-[(1R)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethyl]-4,5-dimethyl-1,3-thiazol-2-amine;N-[(1S)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethyl]-4,5-dimethyl-1,3-thiazol-2-amine;N-[1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethyl]-5-methyl-1,3-thiazol-2-amine;N-[(1S)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethyl]-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine is Cc1cnc(NC(Cc2ccccc2)(c2cc(F)cc(C(F)(F)F)c2)c2ccc(Cl)cn2)s1.Cc1nc(N[C@@](Cc2ccccc2)(c2cc(F)cc(C(F)(F)F)c2)c2ccc(Cl)cn2)sc1C.Cc1nc(N[C@](Cc2ccccc2)(c2cc(F)cc(C(F)(F)F)c2)c2ccc(Cl)cn2)sc1C.Cc1sc(NC(Cc2ccccc2)(c2cc(F)cc(C(F)(F)F)c2)c2ccc(Cl)cn2)nc1C(C)(F)F.Fc1cc(C(F)(F)F)cc([C@](Cc2ccccc2)(Nc2nc3c(s2)CCCC3)c2ccc(Cl)cn2)c1.
What is the InChIKey of N-[1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethyl]-4-(1,1-difluoroethyl)-5-methyl-1,3-thiazol-2-amine;N-[(1R)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethyl]-4,5-dimethyl-1,3-thiazol-2-amine;N-[(1S)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethyl]-4,5-dimethyl-1,3-thiazol-2-amine;N-[1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethyl]-5-methyl-1,3-thiazol-2-amine;N-[(1S)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethyl]-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine?
The InChIKey is GXIJLMIXNNCCTI-UWXNYFFMSA-N. The full InChI is InChI=1S/C27H22ClF4N3S.C26H20ClF6N3S.2C25H20ClF4N3S.C24H18ClF4N3S/c28-20-10-11-24(33-16-20)26(15-17-6-2-1-3-7-17,18-12-19(27(30,31)32)14-21(29)13-18)35-25-34-22-8-4-5-9-23(22)36-25;1-15-22(24(2,29)30)35-23(37-15)36-25(13-16-6-4-3-5-7-16,21-9-8-19(27)14-34-21)17-10-18(26(31,32)33)12-20(28)11-17;2*1-15-16(2)34-23(32-15)33-24(13-17-6-4-3-5-7-17,22-9-8-20(26)14-31-22)18-10-19(25(28,29)30)12-21(27)11-18;1-15-13-31-22(33-15)32-23(12-16-5-3-2-4-6-16,21-8-7-19(25)14-30-21)17-9-18(24(27,28)29)11-20(26)10-17/h1-3,6-7,10-14,16H,4-5,8-9,15H2,(H,34,35);3-12,14H,13H2,1-2H3,(H,35,36);2*3-12,14H,13H2,1-2H3,(H,32,33);2-11,13-14H,12H2,1H3,(H,31,32)/t26-;;2*24-;/m0.10./s1.
What are the key properties of N-[1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethyl]-4-(1,1-difluoroethyl)-5-methyl-1,3-thiazol-2-amine;N-[(1R)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethyl]-4,5-dimethyl-1,3-thiazol-2-amine;N-[(1S)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethyl]-4,5-dimethyl-1,3-thiazol-2-amine;N-[1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethyl]-5-methyl-1,3-thiazol-2-amine;N-[(1S)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethyl]-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine?
N-[1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethyl]-4-(1,1-difluoroethyl)-5-methyl-1,3-thiazol-2-amine;N-[(1R)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethyl]-4,5-dimethyl-1,3-thiazol-2-amine;N-[(1S)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethyl]-4,5-dimethyl-1,3-thiazol-2-amine;N-[1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethyl]-5-methyl-1,3-thiazol-2-amine;N-[(1S)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethyl]-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine has a molecular weight of 2591.86 g/mol, XLogP of 38.58, 31 rotatable bonds, 5 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethyl]-4-(1,1-difluoroethyl)-5-methyl-1,3-thiazol-2-amine;N-[(1R)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethyl]-4,5-dimethyl-1,3-thiazol-2-amine;N-[(1S)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethyl]-4,5-dimethyl-1,3-thiazol-2-amine;N-[1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethyl]-5-methyl-1,3-thiazol-2-amine;N-[(1S)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethyl]-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine is sourced from PubChem (CID 158394154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).