N-[5-[[(2S,4R)-4-[[5-(difluoromethyl)-2-pyridinyl]oxy]-2-methylpyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[5-[[(2S,4R)-4-[(5-fluoro-2-pyridinyl)oxy]-2-methylpyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[5-[[(2R,4R)-4-[(5-fluoro-2-pyridinyl)oxy]-2-methylpyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[5-[[(2S,4S)-4-[(5-fluoro-2-pyridinyl)oxy]-2-methylpyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[5-[[(2R,4S)-4-[(5-fluoro-2-pyridinyl)oxy]-2-methylpyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[5-[[(3S)-3-[(5-fluoro-2-pyridinyl)oxy]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[5-[[(3R)-3-[(5-fluoro-2-pyridinyl)oxy]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[5-[[(2S,4R)-2-methyl-4-[(4-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[5-[[(2S,4R)-2-methyl-4-(6-methylpyrimidin-4-yl)oxypyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide

C144H173F8N37O18S9 — CID 163863422

IUPACN-[5-[[(2S,4R)-4-[[5-(difluoromethyl)-2-pyridinyl]oxy]-2-methylpyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[5-[[(2S,4R)-4-[(5-fluoro-2-pyridinyl)oxy]-2-methylpyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[5-[[(2R,4R)-4-[(5-fluoro-2-pyridinyl)oxy]-2-methylpyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[5-[[(2S,4S)-4-[(5-fluoro-2-pyridinyl)oxy]-2-methylpyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[5-[[(2R,4S)-4-[(5-fluoro-2-pyridinyl)oxy]-2-methylpyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[5-[[(3S)-3-[(5-fluoro-2-pyridinyl)oxy]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[5-[[(3R)-3-[(5-fluoro-2-pyridinyl)oxy]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[5-[[(2S,4R)-2-methyl-4-[(4-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[5-[[(2S,4R)-2-methyl-4-(6-methylpyrimidin-4-yl)oxypyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1ncc(CN2CC[C@@H](Oc3ccc(F)cn3)C2)s1.CC(=O)Nc1ncc(CN2CC[C@H](Oc3ccc(F)cn3)C2)s1.CC(=O)Nc1ncc(CN2C[C@@H](Oc3ccc(F)cn3)C[C@@H]2C)s1.CC(=O)Nc1ncc(CN2C[C@@H](Oc3ccc(F)cn3)C[C@H]2C)s1.CC(=O)Nc1ncc(CN2C[C@H](Oc3cc(C)ccn3)C[C@@H]2C)s1.CC(=O)Nc1ncc(CN2C[C@H](Oc3cc(C)ncn3)C[C@@H]2C)s1.CC(=O)Nc1ncc(CN2C[C@H](Oc3ccc(C(F)F)cn3)C[C@@H]2C)s1.CC(=O)Nc1ncc(CN2C[C@H](Oc3ccc(F)cn3)C[C@@H]2C)s1.CC(=O)Nc1ncc(CN2C[C@H](Oc3ccc(F)cn3)C[C@H]2C)s1
InChIInChI=1S/C17H20F2N4O2S.C17H22N4O2S.4C16H19FN4O2S.C16H21N5O2S.2C15H17FN4O2S/c1-10-5-13(25-15-4-3-12(6-20-15)16(18)19)8-23(10)9-14-7-21-17(26-14)22-11(2)24;1-11-4-5-18-16(6-11)23-14-7-12(2)21(9-14)10-15-8-19-17(24-15)20-13(3)22;4*1-10-5-13(23-15-4-3-12(17)6-18-15)8-21(10)9-14-7-19-16(24-14)20-11(2)22;1-10-4-15(19-9-18-10)23-13-5-11(2)21(7-13)8-14-6-17-16(24-14)20-12(3)22;2*1-10(21)19-15-18-7-13(23-15)9-20-5-4-12(8-20)22-14-3-2-11(16)6-17-14/h3-4,6-7,10,13,16H,5,8-9H2,1-2H3,(H,21,22,24);4-6,8,12,14H,7,9-10H2,1-3H3,(H,19,20,22);4*3-4,6-7,10,13H,5,8-9H2,1-2H3,(H,19,20,22);4,6,9,11,13H,5,7-8H2,1-3H3,(H,17,20,22);2*2-3,6-7,12H,4-5,8-9H2,1H3,(H,18,19,21)/t10-,13+;12-,14+;2*10-,13+;2*10-,13-;11-,13+;2*12-/m001010010/s1
InChIKeyPEOAYGDUEMYYHQ-QEAAGMQKSA-N
MW3150.80 g/mol
LogP23.85
Rot. Bonds46

About N-[5-[[(2S,4R)-4-[[5-(difluoromethyl)-2-pyridinyl]oxy]-2-methylpyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[5-[[(2S,4R)-4-[(5-fluoro-2-pyridinyl)oxy]-2-methylpyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[5-[[(2R,4R)-4-[(5-fluoro-2-pyridinyl)oxy]-2-methylpyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[5-[[(2S,4S)-4-[(5-fluoro-2-pyridinyl)oxy]-2-methylpyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[5-[[(2R,4S)-4-[(5-fluoro-2-pyridinyl)oxy]-2-methylpyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[5-[[(3S)-3-[(5-fluoro-2-pyridinyl)oxy]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[5-[[(3R)-3-[(5-fluoro-2-pyridinyl)oxy]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[5-[[(2S,4R)-2-methyl-4-[(4-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[5-[[(2S,4R)-2-methyl-4-(6-methylpyrimidin-4-yl)oxypyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide

N-[5-[[(2S,4R)-4-[[5-(difluoromethyl)-2-pyridinyl]oxy]-2-methylpyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[5-[[(2S,4R)-4-[(5-fluoro-2-pyridinyl)oxy]-2-methylpyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[5-[[(2R,4R)-4-[(5-fluoro-2-pyridinyl)oxy]-2-methylpyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[5-[[(2S,4S)-4-[(5-fluoro-2-pyridinyl)oxy]-2-methylpyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[5-[[(2R,4S)-4-[(5-fluoro-2-pyridinyl)oxy]-2-methylpyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[5-[[(3S)-3-[(5-fluoro-2-pyridinyl)oxy]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[5-[[(3R)-3-[(5-fluoro-2-pyridinyl)oxy]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[5-[[(2S,4R)-2-methyl-4-[(4-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[5-[[(2S,4R)-2-methyl-4-(6-methylpyrimidin-4-yl)oxypyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide (PubChem CID 163863422) has the molecular formula C144H173F8N37O18S9 and a molecular weight of 3150.80 g/mol. Its IUPAC name is N-[5-[[(2S,4R)-4-[[5-(difluoromethyl)-2-pyridinyl]oxy]-2-methylpyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[5-[[(2S,4R)-4-[(5-fluoro-2-pyridinyl)oxy]-2-methylpyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[5-[[(2R,4R)-4-[(5-fluoro-2-pyridinyl)oxy]-2-methylpyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[5-[[(2S,4S)-4-[(5-fluoro-2-pyridinyl)oxy]-2-methylpyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[5-[[(2R,4S)-4-[(5-fluoro-2-pyridinyl)oxy]-2-methylpyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[5-[[(3S)-3-[(5-fluoro-2-pyridinyl)oxy]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[5-[[(3R)-3-[(5-fluoro-2-pyridinyl)oxy]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[5-[[(2S,4R)-2-methyl-4-[(4-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[5-[[(2S,4R)-2-methyl-4-(6-methylpyrimidin-4-yl)oxypyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[5-[[(2S,4R)-4-[[5-(difluoromethyl)-2-pyridinyl]oxy]-2-methylpyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[5-[[(2S,4R)-4-[(5-fluoro-2-pyridinyl)oxy]-2-methylpyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[5-[[(2R,4R)-4-[(5-fluoro-2-pyridinyl)oxy]-2-methylpyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[5-[[(2S,4S)-4-[(5-fluoro-2-pyridinyl)oxy]-2-methylpyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[5-[[(2R,4S)-4-[(5-fluoro-2-pyridinyl)oxy]-2-methylpyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[5-[[(3S)-3-[(5-fluoro-2-pyridinyl)oxy]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[5-[[(3R)-3-[(5-fluoro-2-pyridinyl)oxy]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[5-[[(2S,4R)-2-methyl-4-[(4-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[5-[[(2S,4R)-2-methyl-4-(6-methylpyrimidin-4-yl)oxypyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
PubChem CID163863422
Molecular FormulaC144H173F8N37O18S9
Molecular Weight3150.80 g/mol
Exact Mass3148.11
IUPAC NameN-[5-[[(2S,4R)-4-[[5-(difluoromethyl)-2-pyridinyl]oxy]-2-methylpyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[5-[[(2S,4R)-4-[(5-fluoro-2-pyridinyl)oxy]-2-methylpyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[5-[[(2R,4R)-4-[(5-fluoro-2-pyridinyl)oxy]-2-methylpyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[5-[[(2S,4S)-4-[(5-fluoro-2-pyridinyl)oxy]-2-methylpyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[5-[[(2R,4S)-4-[(5-fluoro-2-pyridinyl)oxy]-2-methylpyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[5-[[(3S)-3-[(5-fluoro-2-pyridinyl)oxy]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[5-[[(3R)-3-[(5-fluoro-2-pyridinyl)oxy]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[5-[[(2S,4R)-2-methyl-4-[(4-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[5-[[(2S,4R)-2-methyl-4-(6-methylpyrimidin-4-yl)oxypyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1ncc(CN2CC[C@@H](Oc3ccc(F)cn3)C2)s1.CC(=O)Nc1ncc(CN2CC[C@H](Oc3ccc(F)cn3)C2)s1.CC(=O)Nc1ncc(CN2C[C@@H](Oc3ccc(F)cn3)C[C@@H]2C)s1.CC(=O)Nc1ncc(CN2C[C@@H](Oc3ccc(F)cn3)C[C@H]2C)s1.CC(=O)Nc1ncc(CN2C[C@H](Oc3cc(C)ccn3)C[C@@H]2C)s1.CC(=O)Nc1ncc(CN2C[C@H](Oc3cc(C)ncn3)C[C@@H]2C)s1.CC(=O)Nc1ncc(CN2C[C@H](Oc3ccc(C(F)F)cn3)C[C@@H]2C)s1.CC(=O)Nc1ncc(CN2C[C@H](Oc3ccc(F)cn3)C[C@@H]2C)s1.CC(=O)Nc1ncc(CN2C[C@H](Oc3ccc(F)cn3)C[C@H]2C)s1
InChIInChI=1S/C17H20F2N4O2S.C17H22N4O2S.4C16H19FN4O2S.C16H21N5O2S.2C15H17FN4O2S/c1-10-5-13(25-15-4-3-12(6-20-15)16(18)19)8-23(10)9-14-7-21-17(26-14)22-11(2)24;1-11-4-5-18-16(6-11)23-14-7-12(2)21(9-14)10-15-8-19-17(24-15)20-13(3)22;4*1-10-5-13(23-15-4-3-12(17)6-18-15)8-21(10)9-14-7-19-16(24-14)20-11(2)22;1-10-4-15(19-9-18-10)23-13-5-11(2)21(7-13)8-14-6-17-16(24-14)20-12(3)22;2*1-10(21)19-15-18-7-13(23-15)9-20-5-4-12(8-20)22-14-3-2-11(16)6-17-14/h3-4,6-7,10,13,16H,5,8-9H2,1-2H3,(H,21,22,24);4-6,8,12,14H,7,9-10H2,1-3H3,(H,19,20,22);4*3-4,6-7,10,13H,5,8-9H2,1-2H3,(H,19,20,22);4,6,9,11,13H,5,7-8H2,1-3H3,(H,17,20,22);2*2-3,6-7,12H,4-5,8-9H2,1H3,(H,18,19,21)/t10-,13+;12-,14+;2*10-,13+;2*10-,13-;11-,13+;2*12-/m001010010/s1
InChIKeyPEOAYGDUEMYYHQ-QEAAGMQKSA-N
XLogP23.85
TPSA619.04 Ų
H-Bond Donors9
H-Bond Acceptors55
Rotatable Bonds46
Heavy Atoms216
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003150.80
LogP ≤ 523.85
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1055

Analyze N-[5-[[(2S,4R)-4-[[5-(difluoromethyl)-2-pyridinyl]oxy]-2-methylpyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[5-[[(2S,4R)-4-[(5-fluoro-2-pyridinyl)oxy]-2-methylpyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[5-[[(2R,4R)-4-[(5-fluoro-2-pyridinyl)oxy]-2-methylpyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[5-[[(2S,4S)-4-[(5-fluoro-2-pyridinyl)oxy]-2-methylpyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[5-[[(2R,4S)-4-[(5-fluoro-2-pyridinyl)oxy]-2-methylpyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[5-[[(3S)-3-[(5-fluoro-2-pyridinyl)oxy]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[5-[[(3R)-3-[(5-fluoro-2-pyridinyl)oxy]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[5-[[(2S,4R)-2-methyl-4-[(4-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[5-[[(2S,4R)-2-methyl-4-(6-methylpyrimidin-4-yl)oxypyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[5-[[(2S,4R)-4-[[5-(difluoromethyl)-2-pyridinyl]oxy]-2-methylpyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[5-[[(2S,4R)-4-[(5-fluoro-2-pyridinyl)oxy]-2-methylpyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[5-[[(2R,4R)-4-[(5-fluoro-2-pyridinyl)oxy]-2-methylpyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[5-[[(2S,4S)-4-[(5-fluoro-2-pyridinyl)oxy]-2-methylpyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[5-[[(2R,4S)-4-[(5-fluoro-2-pyridinyl)oxy]-2-methylpyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[5-[[(3S)-3-[(5-fluoro-2-pyridinyl)oxy]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[5-[[(3R)-3-[(5-fluoro-2-pyridinyl)oxy]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[5-[[(2S,4R)-2-methyl-4-[(4-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[5-[[(2S,4R)-2-methyl-4-(6-methylpyrimidin-4-yl)oxypyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-[5-[[(2S,4R)-4-[[5-(difluoromethyl)-2-pyridinyl]oxy]-2-methylpyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[5-[[(2S,4R)-4-[(5-fluoro-2-pyridinyl)oxy]-2-methylpyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[5-[[(2R,4R)-4-[(5-fluoro-2-pyridinyl)oxy]-2-methylpyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[5-[[(2S,4S)-4-[(5-fluoro-2-pyridinyl)oxy]-2-methylpyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[5-[[(2R,4S)-4-[(5-fluoro-2-pyridinyl)oxy]-2-methylpyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[5-[[(3S)-3-[(5-fluoro-2-pyridinyl)oxy]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[5-[[(3R)-3-[(5-fluoro-2-pyridinyl)oxy]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[5-[[(2S,4R)-2-methyl-4-[(4-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[5-[[(2S,4R)-2-methyl-4-(6-methylpyrimidin-4-yl)oxypyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide (CID 163863422) is N-[5-[[(2S,4R)-4-[[5-(difluoromethyl)-2-pyridinyl]oxy]-2-methylpyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[5-[[(2S,4R)-4-[(5-fluoro-2-pyridinyl)oxy]-2-methylpyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[5-[[(2R,4R)-4-[(5-fluoro-2-pyridinyl)oxy]-2-methylpyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[5-[[(2S,4S)-4-[(5-fluoro-2-pyridinyl)oxy]-2-methylpyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[5-[[(2R,4S)-4-[(5-fluoro-2-pyridinyl)oxy]-2-methylpyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[5-[[(3S)-3-[(5-fluoro-2-pyridinyl)oxy]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[5-[[(3R)-3-[(5-fluoro-2-pyridinyl)oxy]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[5-[[(2S,4R)-2-methyl-4-[(4-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[5-[[(2S,4R)-2-methyl-4-(6-methylpyrimidin-4-yl)oxypyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-[5-[[(2S,4R)-4-[[5-(difluoromethyl)-2-pyridinyl]oxy]-2-methylpyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[5-[[(2S,4R)-4-[(5-fluoro-2-pyridinyl)oxy]-2-methylpyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[5-[[(2R,4R)-4-[(5-fluoro-2-pyridinyl)oxy]-2-methylpyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[5-[[(2S,4S)-4-[(5-fluoro-2-pyridinyl)oxy]-2-methylpyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[5-[[(2R,4S)-4-[(5-fluoro-2-pyridinyl)oxy]-2-methylpyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[5-[[(3S)-3-[(5-fluoro-2-pyridinyl)oxy]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[5-[[(3R)-3-[(5-fluoro-2-pyridinyl)oxy]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[5-[[(2S,4R)-2-methyl-4-[(4-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[5-[[(2S,4R)-2-methyl-4-(6-methylpyrimidin-4-yl)oxypyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-[5-[[(2S,4R)-4-[[5-(difluoromethyl)-2-pyridinyl]oxy]-2-methylpyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[5-[[(2S,4R)-4-[(5-fluoro-2-pyridinyl)oxy]-2-methylpyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[5-[[(2R,4R)-4-[(5-fluoro-2-pyridinyl)oxy]-2-methylpyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[5-[[(2S,4S)-4-[(5-fluoro-2-pyridinyl)oxy]-2-methylpyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[5-[[(2R,4S)-4-[(5-fluoro-2-pyridinyl)oxy]-2-methylpyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[5-[[(3S)-3-[(5-fluoro-2-pyridinyl)oxy]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[5-[[(3R)-3-[(5-fluoro-2-pyridinyl)oxy]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[5-[[(2S,4R)-2-methyl-4-[(4-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[5-[[(2S,4R)-2-methyl-4-(6-methylpyrimidin-4-yl)oxypyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide is CC(=O)Nc1ncc(CN2CC[C@@H](Oc3ccc(F)cn3)C2)s1.CC(=O)Nc1ncc(CN2CC[C@H](Oc3ccc(F)cn3)C2)s1.CC(=O)Nc1ncc(CN2C[C@@H](Oc3ccc(F)cn3)C[C@@H]2C)s1.CC(=O)Nc1ncc(CN2C[C@@H](Oc3ccc(F)cn3)C[C@H]2C)s1.CC(=O)Nc1ncc(CN2C[C@H](Oc3cc(C)ccn3)C[C@@H]2C)s1.CC(=O)Nc1ncc(CN2C[C@H](Oc3cc(C)ncn3)C[C@@H]2C)s1.CC(=O)Nc1ncc(CN2C[C@H](Oc3ccc(C(F)F)cn3)C[C@@H]2C)s1.CC(=O)Nc1ncc(CN2C[C@H](Oc3ccc(F)cn3)C[C@@H]2C)s1.CC(=O)Nc1ncc(CN2C[C@H](Oc3ccc(F)cn3)C[C@H]2C)s1.
What is the InChIKey of N-[5-[[(2S,4R)-4-[[5-(difluoromethyl)-2-pyridinyl]oxy]-2-methylpyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[5-[[(2S,4R)-4-[(5-fluoro-2-pyridinyl)oxy]-2-methylpyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[5-[[(2R,4R)-4-[(5-fluoro-2-pyridinyl)oxy]-2-methylpyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[5-[[(2S,4S)-4-[(5-fluoro-2-pyridinyl)oxy]-2-methylpyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[5-[[(2R,4S)-4-[(5-fluoro-2-pyridinyl)oxy]-2-methylpyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[5-[[(3S)-3-[(5-fluoro-2-pyridinyl)oxy]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[5-[[(3R)-3-[(5-fluoro-2-pyridinyl)oxy]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[5-[[(2S,4R)-2-methyl-4-[(4-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[5-[[(2S,4R)-2-methyl-4-(6-methylpyrimidin-4-yl)oxypyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?
The InChIKey is PEOAYGDUEMYYHQ-QEAAGMQKSA-N. The full InChI is InChI=1S/C17H20F2N4O2S.C17H22N4O2S.4C16H19FN4O2S.C16H21N5O2S.2C15H17FN4O2S/c1-10-5-13(25-15-4-3-12(6-20-15)16(18)19)8-23(10)9-14-7-21-17(26-14)22-11(2)24;1-11-4-5-18-16(6-11)23-14-7-12(2)21(9-14)10-15-8-19-17(24-15)20-13(3)22;4*1-10-5-13(23-15-4-3-12(17)6-18-15)8-21(10)9-14-7-19-16(24-14)20-11(2)22;1-10-4-15(19-9-18-10)23-13-5-11(2)21(7-13)8-14-6-17-16(24-14)20-12(3)22;2*1-10(21)19-15-18-7-13(23-15)9-20-5-4-12(8-20)22-14-3-2-11(16)6-17-14/h3-4,6-7,10,13,16H,5,8-9H2,1-2H3,(H,21,22,24);4-6,8,12,14H,7,9-10H2,1-3H3,(H,19,20,22);4*3-4,6-7,10,13H,5,8-9H2,1-2H3,(H,19,20,22);4,6,9,11,13H,5,7-8H2,1-3H3,(H,17,20,22);2*2-3,6-7,12H,4-5,8-9H2,1H3,(H,18,19,21)/t10-,13+;12-,14+;2*10-,13+;2*10-,13-;11-,13+;2*12-/m001010010/s1.
What are the key properties of N-[5-[[(2S,4R)-4-[[5-(difluoromethyl)-2-pyridinyl]oxy]-2-methylpyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[5-[[(2S,4R)-4-[(5-fluoro-2-pyridinyl)oxy]-2-methylpyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[5-[[(2R,4R)-4-[(5-fluoro-2-pyridinyl)oxy]-2-methylpyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[5-[[(2S,4S)-4-[(5-fluoro-2-pyridinyl)oxy]-2-methylpyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[5-[[(2R,4S)-4-[(5-fluoro-2-pyridinyl)oxy]-2-methylpyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[5-[[(3S)-3-[(5-fluoro-2-pyridinyl)oxy]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[5-[[(3R)-3-[(5-fluoro-2-pyridinyl)oxy]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[5-[[(2S,4R)-2-methyl-4-[(4-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[5-[[(2S,4R)-2-methyl-4-(6-methylpyrimidin-4-yl)oxypyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?
N-[5-[[(2S,4R)-4-[[5-(difluoromethyl)-2-pyridinyl]oxy]-2-methylpyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[5-[[(2S,4R)-4-[(5-fluoro-2-pyridinyl)oxy]-2-methylpyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[5-[[(2R,4R)-4-[(5-fluoro-2-pyridinyl)oxy]-2-methylpyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[5-[[(2S,4S)-4-[(5-fluoro-2-pyridinyl)oxy]-2-methylpyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[5-[[(2R,4S)-4-[(5-fluoro-2-pyridinyl)oxy]-2-methylpyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[5-[[(3S)-3-[(5-fluoro-2-pyridinyl)oxy]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[5-[[(3R)-3-[(5-fluoro-2-pyridinyl)oxy]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[5-[[(2S,4R)-2-methyl-4-[(4-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[5-[[(2S,4R)-2-methyl-4-(6-methylpyrimidin-4-yl)oxypyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 3150.80 g/mol, XLogP of 23.85, 46 rotatable bonds, 9 hydrogen bond donors, and 55 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[[(2S,4R)-4-[[5-(difluoromethyl)-2-pyridinyl]oxy]-2-methylpyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[5-[[(2S,4R)-4-[(5-fluoro-2-pyridinyl)oxy]-2-methylpyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[5-[[(2R,4R)-4-[(5-fluoro-2-pyridinyl)oxy]-2-methylpyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[5-[[(2S,4S)-4-[(5-fluoro-2-pyridinyl)oxy]-2-methylpyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[5-[[(2R,4S)-4-[(5-fluoro-2-pyridinyl)oxy]-2-methylpyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[5-[[(3S)-3-[(5-fluoro-2-pyridinyl)oxy]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[5-[[(3R)-3-[(5-fluoro-2-pyridinyl)oxy]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[5-[[(2S,4R)-2-methyl-4-[(4-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[5-[[(2S,4R)-2-methyl-4-(6-methylpyrimidin-4-yl)oxypyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 163863422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).