carbon dioxide;N-(cyclopropylmethyl)-5-[4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-2-methylphenyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-2-isocyanophenyl]-N-(2-hydroxy-2-methylpropyl)-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-2-methylphenyl]-N-[(1-hydroxycyclohexyl)methyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-2-methylphenyl]-N-[(1-hydroxycyclopropyl)methyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-2-methylphenyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-N-(3-methylsulfonylcyclobutyl)-1,3-thiazole-2-carboxamide;5-[6-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-4-methyl-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide

C154H170F36N20O20S7 — CID 159896888

IUPACcarbon dioxide;N-(cyclopropylmethyl)-5-[4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-2-methylphenyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-2-isocyanophenyl]-N-(2-hydroxy-2-methylpropyl)-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-2-methylphenyl]-N-[(1-hydroxycyclohexyl)methyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-2-methylphenyl]-N-[(1-hydroxycyclopropyl)methyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-2-methylphenyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-N-(3-methylsulfonylcyclobutyl)-1,3-thiazole-2-carboxamide;5-[6-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-4-methyl-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide
SMILESCc1cc(C(C)(C(F)(F)F)C(F)(F)F)ccc1-c1sc(C(=O)NC2CC(S(C)(=O)=O)C2)nc1C(=O)N1CCC[C@@H]1C.Cc1cc(C(C)(C(F)(F)F)C(F)(F)F)ccc1-c1sc(C(=O)NCC2(O)CC2)nc1C(=O)N1CCC[C@@H]1C.Cc1cc(C(C)(C(F)(F)F)C(F)(F)F)ccc1-c1sc(C(=O)NCC2(O)CCCCC2)nc1C(=O)N1CCC[C@@H]1C.Cc1cc(C(C)(C(F)(F)F)C(F)(F)F)ccc1-c1sc(C(=O)NCC2CC2)nc1C(=O)N1CCC[C@@H]1C.Cc1cc(C(C)(C(F)(F)F)C(F)(F)F)ncc1-c1sc(C(=O)NCC(C)(C)O)nc1C(=O)N1CCC[C@@H]1C.O=C=O.[C-]#[N+]c1cc(C(C)(C(F)(F)F)C(F)(F)F)ccc1-c1sc(C(=O)NCC(C)(C)O)nc1C(=O)N1CCC[C@@H]1C
InChIInChI=1S/C28H33F6N3O3S.C26H29F6N3O4S2.C25H26F6N4O3S.C25H27F6N3O3S.C25H27F6N3O2S.C24H28F6N4O3S.CO2/c1-16-14-18(25(3,27(29,30)31)28(32,33)34)9-10-19(16)21-20(24(39)37-13-7-8-17(37)2)36-23(41-21)22(38)35-15-26(40)11-5-4-6-12-26;1-13-10-15(24(3,25(27,28)29)26(30,31)32)7-8-18(13)20-19(23(37)35-9-5-6-14(35)2)34-22(40-20)21(36)33-16-11-17(12-16)41(4,38)39;1-13-7-6-10-35(13)21(37)17-18(39-20(34-17)19(36)33-12-22(2,3)38)15-9-8-14(11-16(15)32-5)23(4,24(26,27)28)25(29,30)31;1-13-11-15(22(3,24(26,27)28)25(29,30)31)6-7-16(13)18-17(21(36)34-10-4-5-14(34)2)33-20(38-18)19(35)32-12-23(37)8-9-23;1-13-11-16(23(3,24(26,27)28)25(29,30)31)8-9-17(13)19-18(22(36)34-10-4-5-14(34)2)33-21(37-19)20(35)32-12-15-6-7-15;1-12-9-15(22(5,23(25,26)27)24(28,29)30)31-10-14(12)17-16(20(36)34-8-6-7-13(34)2)33-19(38-17)18(35)32-11-21(3,4)37;2-1-3/h9-10,14,17,40H,4-8,11-13,15H2,1-3H3,(H,35,38);7-8,10,14,16-17H,5-6,9,11-12H2,1-4H3,(H,33,36);8-9,11,13,38H,6-7,10,12H2,1-4H3,(H,33,36);6-7,11,14,37H,4-5,8-10,12H2,1-3H3,(H,32,35);8-9,11,14-15H,4-7,10,12H2,1-3H3,(H,32,35);9-10,13,37H,6-8,11H2,1-5H3,(H,32,35);/t17-;14-,16?,17?;13-;2*14-;13-;/m000000./s1
InChIKeyNVLNOKXUFHYCTI-WTOQJAIASA-N
MW3529.57 g/mol
LogP33.93
Rot. Bonds36

About carbon dioxide;N-(cyclopropylmethyl)-5-[4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-2-methylphenyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-2-isocyanophenyl]-N-(2-hydroxy-2-methylpropyl)-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-2-methylphenyl]-N-[(1-hydroxycyclohexyl)methyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-2-methylphenyl]-N-[(1-hydroxycyclopropyl)methyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-2-methylphenyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-N-(3-methylsulfonylcyclobutyl)-1,3-thiazole-2-carboxamide;5-[6-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-4-methyl-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide

carbon dioxide;N-(cyclopropylmethyl)-5-[4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-2-methylphenyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-2-isocyanophenyl]-N-(2-hydroxy-2-methylpropyl)-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-2-methylphenyl]-N-[(1-hydroxycyclohexyl)methyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-2-methylphenyl]-N-[(1-hydroxycyclopropyl)methyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-2-methylphenyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-N-(3-methylsulfonylcyclobutyl)-1,3-thiazole-2-carboxamide;5-[6-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-4-methyl-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide (PubChem CID 159896888) has the molecular formula C154H170F36N20O20S7 and a molecular weight of 3529.57 g/mol. Its IUPAC name is carbon dioxide;N-(cyclopropylmethyl)-5-[4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-2-methylphenyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-2-isocyanophenyl]-N-(2-hydroxy-2-methylpropyl)-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-2-methylphenyl]-N-[(1-hydroxycyclohexyl)methyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-2-methylphenyl]-N-[(1-hydroxycyclopropyl)methyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-2-methylphenyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-N-(3-methylsulfonylcyclobutyl)-1,3-thiazole-2-carboxamide;5-[6-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-4-methyl-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide.

Molecular Properties

Compound Namecarbon dioxide;N-(cyclopropylmethyl)-5-[4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-2-methylphenyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-2-isocyanophenyl]-N-(2-hydroxy-2-methylpropyl)-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-2-methylphenyl]-N-[(1-hydroxycyclohexyl)methyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-2-methylphenyl]-N-[(1-hydroxycyclopropyl)methyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-2-methylphenyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-N-(3-methylsulfonylcyclobutyl)-1,3-thiazole-2-carboxamide;5-[6-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-4-methyl-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide
PubChem CID159896888
Molecular FormulaC154H170F36N20O20S7
Molecular Weight3529.57 g/mol
Exact Mass3527.04
IUPAC Namecarbon dioxide;N-(cyclopropylmethyl)-5-[4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-2-methylphenyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-2-isocyanophenyl]-N-(2-hydroxy-2-methylpropyl)-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-2-methylphenyl]-N-[(1-hydroxycyclohexyl)methyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-2-methylphenyl]-N-[(1-hydroxycyclopropyl)methyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-2-methylphenyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-N-(3-methylsulfonylcyclobutyl)-1,3-thiazole-2-carboxamide;5-[6-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-4-methyl-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide
SMILESCc1cc(C(C)(C(F)(F)F)C(F)(F)F)ccc1-c1sc(C(=O)NC2CC(S(C)(=O)=O)C2)nc1C(=O)N1CCC[C@@H]1C.Cc1cc(C(C)(C(F)(F)F)C(F)(F)F)ccc1-c1sc(C(=O)NCC2(O)CC2)nc1C(=O)N1CCC[C@@H]1C.Cc1cc(C(C)(C(F)(F)F)C(F)(F)F)ccc1-c1sc(C(=O)NCC2(O)CCCCC2)nc1C(=O)N1CCC[C@@H]1C.Cc1cc(C(C)(C(F)(F)F)C(F)(F)F)ccc1-c1sc(C(=O)NCC2CC2)nc1C(=O)N1CCC[C@@H]1C.Cc1cc(C(C)(C(F)(F)F)C(F)(F)F)ncc1-c1sc(C(=O)NCC(C)(C)O)nc1C(=O)N1CCC[C@@H]1C.O=C=O.[C-]#[N+]c1cc(C(C)(C(F)(F)F)C(F)(F)F)ccc1-c1sc(C(=O)NCC(C)(C)O)nc1C(=O)N1CCC[C@@H]1C
InChIInChI=1S/C28H33F6N3O3S.C26H29F6N3O4S2.C25H26F6N4O3S.C25H27F6N3O3S.C25H27F6N3O2S.C24H28F6N4O3S.CO2/c1-16-14-18(25(3,27(29,30)31)28(32,33)34)9-10-19(16)21-20(24(39)37-13-7-8-17(37)2)36-23(41-21)22(38)35-15-26(40)11-5-4-6-12-26;1-13-10-15(24(3,25(27,28)29)26(30,31)32)7-8-18(13)20-19(23(37)35-9-5-6-14(35)2)34-22(40-20)21(36)33-16-11-17(12-16)41(4,38)39;1-13-7-6-10-35(13)21(37)17-18(39-20(34-17)19(36)33-12-22(2,3)38)15-9-8-14(11-16(15)32-5)23(4,24(26,27)28)25(29,30)31;1-13-11-15(22(3,24(26,27)28)25(29,30)31)6-7-16(13)18-17(21(36)34-10-4-5-14(34)2)33-20(38-18)19(35)32-12-23(37)8-9-23;1-13-11-16(23(3,24(26,27)28)25(29,30)31)8-9-17(13)19-18(22(36)34-10-4-5-14(34)2)33-21(37-19)20(35)32-12-15-6-7-15;1-12-9-15(22(5,23(25,26)27)24(28,29)30)31-10-14(12)17-16(20(36)34-8-6-7-13(34)2)33-19(38-17)18(35)32-11-21(3,4)37;2-1-3/h9-10,14,17,40H,4-8,11-13,15H2,1-3H3,(H,35,38);7-8,10,14,16-17H,5-6,9,11-12H2,1-4H3,(H,33,36);8-9,11,13,38H,6-7,10,12H2,1-4H3,(H,33,36);6-7,11,14,37H,4-5,8-10,12H2,1-3H3,(H,32,35);8-9,11,14-15H,4-7,10,12H2,1-3H3,(H,32,35);9-10,13,37H,6-8,11H2,1-5H3,(H,32,35);/t17-;14-,16?,17?;13-;2*14-;13-;/m000000./s1
InChIKeyNVLNOKXUFHYCTI-WTOQJAIASA-N
XLogP33.93
TPSA540.25 Ų
H-Bond Donors10
H-Bond Acceptors33
Rotatable Bonds36
Heavy Atoms237
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003529.57
LogP ≤ 533.93
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1033

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Analyze carbon dioxide;N-(cyclopropylmethyl)-5-[4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-2-methylphenyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-2-isocyanophenyl]-N-(2-hydroxy-2-methylpropyl)-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-2-methylphenyl]-N-[(1-hydroxycyclohexyl)methyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-2-methylphenyl]-N-[(1-hydroxycyclopropyl)methyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-2-methylphenyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-N-(3-methylsulfonylcyclobutyl)-1,3-thiazole-2-carboxamide;5-[6-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-4-methyl-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of carbon dioxide;N-(cyclopropylmethyl)-5-[4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-2-methylphenyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-2-isocyanophenyl]-N-(2-hydroxy-2-methylpropyl)-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-2-methylphenyl]-N-[(1-hydroxycyclohexyl)methyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-2-methylphenyl]-N-[(1-hydroxycyclopropyl)methyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-2-methylphenyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-N-(3-methylsulfonylcyclobutyl)-1,3-thiazole-2-carboxamide;5-[6-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-4-methyl-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide?
The IUPAC name of carbon dioxide;N-(cyclopropylmethyl)-5-[4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-2-methylphenyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-2-isocyanophenyl]-N-(2-hydroxy-2-methylpropyl)-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-2-methylphenyl]-N-[(1-hydroxycyclohexyl)methyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-2-methylphenyl]-N-[(1-hydroxycyclopropyl)methyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-2-methylphenyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-N-(3-methylsulfonylcyclobutyl)-1,3-thiazole-2-carboxamide;5-[6-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-4-methyl-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide (CID 159896888) is carbon dioxide;N-(cyclopropylmethyl)-5-[4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-2-methylphenyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-2-isocyanophenyl]-N-(2-hydroxy-2-methylpropyl)-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-2-methylphenyl]-N-[(1-hydroxycyclohexyl)methyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-2-methylphenyl]-N-[(1-hydroxycyclopropyl)methyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-2-methylphenyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-N-(3-methylsulfonylcyclobutyl)-1,3-thiazole-2-carboxamide;5-[6-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-4-methyl-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide.
What is the SMILES notation for carbon dioxide;N-(cyclopropylmethyl)-5-[4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-2-methylphenyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-2-isocyanophenyl]-N-(2-hydroxy-2-methylpropyl)-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-2-methylphenyl]-N-[(1-hydroxycyclohexyl)methyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-2-methylphenyl]-N-[(1-hydroxycyclopropyl)methyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-2-methylphenyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-N-(3-methylsulfonylcyclobutyl)-1,3-thiazole-2-carboxamide;5-[6-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-4-methyl-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide?
The canonical SMILES for carbon dioxide;N-(cyclopropylmethyl)-5-[4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-2-methylphenyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-2-isocyanophenyl]-N-(2-hydroxy-2-methylpropyl)-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-2-methylphenyl]-N-[(1-hydroxycyclohexyl)methyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-2-methylphenyl]-N-[(1-hydroxycyclopropyl)methyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-2-methylphenyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-N-(3-methylsulfonylcyclobutyl)-1,3-thiazole-2-carboxamide;5-[6-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-4-methyl-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide is Cc1cc(C(C)(C(F)(F)F)C(F)(F)F)ccc1-c1sc(C(=O)NC2CC(S(C)(=O)=O)C2)nc1C(=O)N1CCC[C@@H]1C.Cc1cc(C(C)(C(F)(F)F)C(F)(F)F)ccc1-c1sc(C(=O)NCC2(O)CC2)nc1C(=O)N1CCC[C@@H]1C.Cc1cc(C(C)(C(F)(F)F)C(F)(F)F)ccc1-c1sc(C(=O)NCC2(O)CCCCC2)nc1C(=O)N1CCC[C@@H]1C.Cc1cc(C(C)(C(F)(F)F)C(F)(F)F)ccc1-c1sc(C(=O)NCC2CC2)nc1C(=O)N1CCC[C@@H]1C.Cc1cc(C(C)(C(F)(F)F)C(F)(F)F)ncc1-c1sc(C(=O)NCC(C)(C)O)nc1C(=O)N1CCC[C@@H]1C.O=C=O.[C-]#[N+]c1cc(C(C)(C(F)(F)F)C(F)(F)F)ccc1-c1sc(C(=O)NCC(C)(C)O)nc1C(=O)N1CCC[C@@H]1C.
What is the InChIKey of carbon dioxide;N-(cyclopropylmethyl)-5-[4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-2-methylphenyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-2-isocyanophenyl]-N-(2-hydroxy-2-methylpropyl)-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-2-methylphenyl]-N-[(1-hydroxycyclohexyl)methyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-2-methylphenyl]-N-[(1-hydroxycyclopropyl)methyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-2-methylphenyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-N-(3-methylsulfonylcyclobutyl)-1,3-thiazole-2-carboxamide;5-[6-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-4-methyl-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide?
The InChIKey is NVLNOKXUFHYCTI-WTOQJAIASA-N. The full InChI is InChI=1S/C28H33F6N3O3S.C26H29F6N3O4S2.C25H26F6N4O3S.C25H27F6N3O3S.C25H27F6N3O2S.C24H28F6N4O3S.CO2/c1-16-14-18(25(3,27(29,30)31)28(32,33)34)9-10-19(16)21-20(24(39)37-13-7-8-17(37)2)36-23(41-21)22(38)35-15-26(40)11-5-4-6-12-26;1-13-10-15(24(3,25(27,28)29)26(30,31)32)7-8-18(13)20-19(23(37)35-9-5-6-14(35)2)34-22(40-20)21(36)33-16-11-17(12-16)41(4,38)39;1-13-7-6-10-35(13)21(37)17-18(39-20(34-17)19(36)33-12-22(2,3)38)15-9-8-14(11-16(15)32-5)23(4,24(26,27)28)25(29,30)31;1-13-11-15(22(3,24(26,27)28)25(29,30)31)6-7-16(13)18-17(21(36)34-10-4-5-14(34)2)33-20(38-18)19(35)32-12-23(37)8-9-23;1-13-11-16(23(3,24(26,27)28)25(29,30)31)8-9-17(13)19-18(22(36)34-10-4-5-14(34)2)33-21(37-19)20(35)32-12-15-6-7-15;1-12-9-15(22(5,23(25,26)27)24(28,29)30)31-10-14(12)17-16(20(36)34-8-6-7-13(34)2)33-19(38-17)18(35)32-11-21(3,4)37;2-1-3/h9-10,14,17,40H,4-8,11-13,15H2,1-3H3,(H,35,38);7-8,10,14,16-17H,5-6,9,11-12H2,1-4H3,(H,33,36);8-9,11,13,38H,6-7,10,12H2,1-4H3,(H,33,36);6-7,11,14,37H,4-5,8-10,12H2,1-3H3,(H,32,35);8-9,11,14-15H,4-7,10,12H2,1-3H3,(H,32,35);9-10,13,37H,6-8,11H2,1-5H3,(H,32,35);/t17-;14-,16?,17?;13-;2*14-;13-;/m000000./s1.
What are the key properties of carbon dioxide;N-(cyclopropylmethyl)-5-[4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-2-methylphenyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-2-isocyanophenyl]-N-(2-hydroxy-2-methylpropyl)-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-2-methylphenyl]-N-[(1-hydroxycyclohexyl)methyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-2-methylphenyl]-N-[(1-hydroxycyclopropyl)methyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-2-methylphenyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-N-(3-methylsulfonylcyclobutyl)-1,3-thiazole-2-carboxamide;5-[6-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-4-methyl-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide?
carbon dioxide;N-(cyclopropylmethyl)-5-[4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-2-methylphenyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-2-isocyanophenyl]-N-(2-hydroxy-2-methylpropyl)-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-2-methylphenyl]-N-[(1-hydroxycyclohexyl)methyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-2-methylphenyl]-N-[(1-hydroxycyclopropyl)methyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-2-methylphenyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-N-(3-methylsulfonylcyclobutyl)-1,3-thiazole-2-carboxamide;5-[6-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-4-methyl-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide has a molecular weight of 3529.57 g/mol, XLogP of 33.93, 36 rotatable bonds, 10 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for carbon dioxide;N-(cyclopropylmethyl)-5-[4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-2-methylphenyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-2-isocyanophenyl]-N-(2-hydroxy-2-methylpropyl)-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-2-methylphenyl]-N-[(1-hydroxycyclohexyl)methyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-2-methylphenyl]-N-[(1-hydroxycyclopropyl)methyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-2-methylphenyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-N-(3-methylsulfonylcyclobutyl)-1,3-thiazole-2-carboxamide;5-[6-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-4-methyl-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide is sourced from PubChem (CID 159896888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).