2-(4-cyclopropyl-1,3-thiazol-2-yl)-1-[6-methyl-4-[(3R)-oxolan-3-yl]oxy-2-pyridinyl]ethanone;2-[4-(difluoromethyl)-1,3-thiazol-2-yl]-1-[6-methyl-4-[(3R)-oxolan-3-yl]oxy-2-pyridinyl]ethanone;2-(4-ethyl-1,3-thiazol-2-yl)-1-[6-methyl-4-[(3R)-oxolan-3-yl]oxy-2-pyridinyl]ethanone;1-[4-[(2S)-2-methoxypropoxy]-6-methyl-2-pyridinyl]-2-(5-methyl-2-pyridinyl)ethanone;1-[4-[(2R)-2-methoxypropoxy]-6-methyl-2-pyridinyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;1-[6-methyl-4-[(3R)-oxolan-3-yl]oxy-2-pyridinyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone

C101H116F2N12O18S5 — CID 158349744

IUPAC2-(4-cyclopropyl-1,3-thiazol-2-yl)-1-[6-methyl-4-[(3R)-oxolan-3-yl]oxy-2-pyridinyl]ethanone;2-[4-(difluoromethyl)-1,3-thiazol-2-yl]-1-[6-methyl-4-[(3R)-oxolan-3-yl]oxy-2-pyridinyl]ethanone;2-(4-ethyl-1,3-thiazol-2-yl)-1-[6-methyl-4-[(3R)-oxolan-3-yl]oxy-2-pyridinyl]ethanone;1-[4-[(2S)-2-methoxypropoxy]-6-methyl-2-pyridinyl]-2-(5-methyl-2-pyridinyl)ethanone;1-[4-[(2R)-2-methoxypropoxy]-6-methyl-2-pyridinyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;1-[6-methyl-4-[(3R)-oxolan-3-yl]oxy-2-pyridinyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone
SMILESCCc1csc(CC(=O)c2cc(O[C@@H]3CCOC3)cc(C)n2)n1.CO[C@@H](C)COc1cc(C)nc(C(=O)Cc2ccc(C)cn2)c1.CO[C@H](C)COc1cc(C)nc(C(=O)Cc2nc(C)cs2)c1.Cc1cc(O[C@@H]2CCOC2)cc(C(=O)Cc2nc(C(F)F)cs2)n1.Cc1cc(O[C@@H]2CCOC2)cc(C(=O)Cc2nc(C)cs2)n1.Cc1cc(O[C@@H]2CCOC2)cc(C(=O)Cc2nc(C3CC3)cs2)n1
InChIInChI=1S/C18H20N2O3S.C18H22N2O3.C17H20N2O3S.C16H16F2N2O3S.C16H18N2O3S.C16H20N2O3S/c1-11-6-14(23-13-4-5-22-9-13)7-15(19-11)17(21)8-18-20-16(10-24-18)12-2-3-12;1-12-5-6-15(19-10-12)8-18(21)17-9-16(7-13(2)20-17)23-11-14(3)22-4;1-3-12-10-23-17(19-12)8-16(20)15-7-14(6-11(2)18-15)22-13-4-5-21-9-13;1-9-4-11(23-10-2-3-22-7-10)5-12(19-9)14(21)6-15-20-13(8-24-15)16(17)18;1-10-5-13(21-12-3-4-20-8-12)6-14(17-10)15(19)7-16-18-11(2)9-22-16;1-10-5-13(21-8-12(3)20-4)6-14(17-10)15(19)7-16-18-11(2)9-22-16/h6-7,10,12-13H,2-5,8-9H2,1H3;5-7,9-10,14H,8,11H2,1-4H3;6-7,10,13H,3-5,8-9H2,1-2H3;4-5,8,10,16H,2-3,6-7H2,1H3;5-6,9,12H,3-4,7-8H2,1-2H3;5-6,9,12H,7-8H2,1-4H3/t13-;14-;13-;10-;2*12-/m101111/s1
InChIKeyGSDZCDUNUFHCFC-JHWOFBNBSA-N
MW1984.44 g/mol
LogP18.37
Rot. Bonds37

About 2-(4-cyclopropyl-1,3-thiazol-2-yl)-1-[6-methyl-4-[(3R)-oxolan-3-yl]oxy-2-pyridinyl]ethanone;2-[4-(difluoromethyl)-1,3-thiazol-2-yl]-1-[6-methyl-4-[(3R)-oxolan-3-yl]oxy-2-pyridinyl]ethanone;2-(4-ethyl-1,3-thiazol-2-yl)-1-[6-methyl-4-[(3R)-oxolan-3-yl]oxy-2-pyridinyl]ethanone;1-[4-[(2S)-2-methoxypropoxy]-6-methyl-2-pyridinyl]-2-(5-methyl-2-pyridinyl)ethanone;1-[4-[(2R)-2-methoxypropoxy]-6-methyl-2-pyridinyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;1-[6-methyl-4-[(3R)-oxolan-3-yl]oxy-2-pyridinyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone

2-(4-cyclopropyl-1,3-thiazol-2-yl)-1-[6-methyl-4-[(3R)-oxolan-3-yl]oxy-2-pyridinyl]ethanone;2-[4-(difluoromethyl)-1,3-thiazol-2-yl]-1-[6-methyl-4-[(3R)-oxolan-3-yl]oxy-2-pyridinyl]ethanone;2-(4-ethyl-1,3-thiazol-2-yl)-1-[6-methyl-4-[(3R)-oxolan-3-yl]oxy-2-pyridinyl]ethanone;1-[4-[(2S)-2-methoxypropoxy]-6-methyl-2-pyridinyl]-2-(5-methyl-2-pyridinyl)ethanone;1-[4-[(2R)-2-methoxypropoxy]-6-methyl-2-pyridinyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;1-[6-methyl-4-[(3R)-oxolan-3-yl]oxy-2-pyridinyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone (PubChem CID 158349744) has the molecular formula C101H116F2N12O18S5 and a molecular weight of 1984.44 g/mol. Its IUPAC name is 2-(4-cyclopropyl-1,3-thiazol-2-yl)-1-[6-methyl-4-[(3R)-oxolan-3-yl]oxy-2-pyridinyl]ethanone;2-[4-(difluoromethyl)-1,3-thiazol-2-yl]-1-[6-methyl-4-[(3R)-oxolan-3-yl]oxy-2-pyridinyl]ethanone;2-(4-ethyl-1,3-thiazol-2-yl)-1-[6-methyl-4-[(3R)-oxolan-3-yl]oxy-2-pyridinyl]ethanone;1-[4-[(2S)-2-methoxypropoxy]-6-methyl-2-pyridinyl]-2-(5-methyl-2-pyridinyl)ethanone;1-[4-[(2R)-2-methoxypropoxy]-6-methyl-2-pyridinyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;1-[6-methyl-4-[(3R)-oxolan-3-yl]oxy-2-pyridinyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone.

Molecular Properties

Compound Name2-(4-cyclopropyl-1,3-thiazol-2-yl)-1-[6-methyl-4-[(3R)-oxolan-3-yl]oxy-2-pyridinyl]ethanone;2-[4-(difluoromethyl)-1,3-thiazol-2-yl]-1-[6-methyl-4-[(3R)-oxolan-3-yl]oxy-2-pyridinyl]ethanone;2-(4-ethyl-1,3-thiazol-2-yl)-1-[6-methyl-4-[(3R)-oxolan-3-yl]oxy-2-pyridinyl]ethanone;1-[4-[(2S)-2-methoxypropoxy]-6-methyl-2-pyridinyl]-2-(5-methyl-2-pyridinyl)ethanone;1-[4-[(2R)-2-methoxypropoxy]-6-methyl-2-pyridinyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;1-[6-methyl-4-[(3R)-oxolan-3-yl]oxy-2-pyridinyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone
PubChem CID158349744
Molecular FormulaC101H116F2N12O18S5
Molecular Weight1984.44 g/mol
Exact Mass1982.71
IUPAC Name2-(4-cyclopropyl-1,3-thiazol-2-yl)-1-[6-methyl-4-[(3R)-oxolan-3-yl]oxy-2-pyridinyl]ethanone;2-[4-(difluoromethyl)-1,3-thiazol-2-yl]-1-[6-methyl-4-[(3R)-oxolan-3-yl]oxy-2-pyridinyl]ethanone;2-(4-ethyl-1,3-thiazol-2-yl)-1-[6-methyl-4-[(3R)-oxolan-3-yl]oxy-2-pyridinyl]ethanone;1-[4-[(2S)-2-methoxypropoxy]-6-methyl-2-pyridinyl]-2-(5-methyl-2-pyridinyl)ethanone;1-[4-[(2R)-2-methoxypropoxy]-6-methyl-2-pyridinyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;1-[6-methyl-4-[(3R)-oxolan-3-yl]oxy-2-pyridinyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone
SMILESCCc1csc(CC(=O)c2cc(O[C@@H]3CCOC3)cc(C)n2)n1.CO[C@@H](C)COc1cc(C)nc(C(=O)Cc2ccc(C)cn2)c1.CO[C@H](C)COc1cc(C)nc(C(=O)Cc2nc(C)cs2)c1.Cc1cc(O[C@@H]2CCOC2)cc(C(=O)Cc2nc(C(F)F)cs2)n1.Cc1cc(O[C@@H]2CCOC2)cc(C(=O)Cc2nc(C)cs2)n1.Cc1cc(O[C@@H]2CCOC2)cc(C(=O)Cc2nc(C3CC3)cs2)n1
InChIInChI=1S/C18H20N2O3S.C18H22N2O3.C17H20N2O3S.C16H16F2N2O3S.C16H18N2O3S.C16H20N2O3S/c1-11-6-14(23-13-4-5-22-9-13)7-15(19-11)17(21)8-18-20-16(10-24-18)12-2-3-12;1-12-5-6-15(19-10-12)8-18(21)17-9-16(7-13(2)20-17)23-11-14(3)22-4;1-3-12-10-23-17(19-12)8-16(20)15-7-14(6-11(2)18-15)22-13-4-5-21-9-13;1-9-4-11(23-10-2-3-22-7-10)5-12(19-9)14(21)6-15-20-13(8-24-15)16(17)18;1-10-5-13(21-12-3-4-20-8-12)6-14(17-10)15(19)7-16-18-11(2)9-22-16;1-10-5-13(21-8-12(3)20-4)6-14(17-10)15(19)7-16-18-11(2)9-22-16/h6-7,10,12-13H,2-5,8-9H2,1H3;5-7,9-10,14H,8,11H2,1-4H3;6-7,10,13H,3-5,8-9H2,1-2H3;4-5,8,10,16H,2-3,6-7H2,1H3;5-6,9,12H,3-4,7-8H2,1-2H3;5-6,9,12H,7-8H2,1-4H3/t13-;14-;13-;10-;2*12-/m101111/s1
InChIKeyGSDZCDUNUFHCFC-JHWOFBNBSA-N
XLogP18.37
TPSA367.86 Ų
H-Bond Donors
H-Bond Acceptors35
Rotatable Bonds37
Heavy Atoms138
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001984.44
LogP ≤ 518.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1035

Analyze 2-(4-cyclopropyl-1,3-thiazol-2-yl)-1-[6-methyl-4-[(3R)-oxolan-3-yl]oxy-2-pyridinyl]ethanone;2-[4-(difluoromethyl)-1,3-thiazol-2-yl]-1-[6-methyl-4-[(3R)-oxolan-3-yl]oxy-2-pyridinyl]ethanone;2-(4-ethyl-1,3-thiazol-2-yl)-1-[6-methyl-4-[(3R)-oxolan-3-yl]oxy-2-pyridinyl]ethanone;1-[4-[(2S)-2-methoxypropoxy]-6-methyl-2-pyridinyl]-2-(5-methyl-2-pyridinyl)ethanone;1-[4-[(2R)-2-methoxypropoxy]-6-methyl-2-pyridinyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;1-[6-methyl-4-[(3R)-oxolan-3-yl]oxy-2-pyridinyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(4-cyclopropyl-1,3-thiazol-2-yl)-1-[6-methyl-4-[(3R)-oxolan-3-yl]oxy-2-pyridinyl]ethanone;2-[4-(difluoromethyl)-1,3-thiazol-2-yl]-1-[6-methyl-4-[(3R)-oxolan-3-yl]oxy-2-pyridinyl]ethanone;2-(4-ethyl-1,3-thiazol-2-yl)-1-[6-methyl-4-[(3R)-oxolan-3-yl]oxy-2-pyridinyl]ethanone;1-[4-[(2S)-2-methoxypropoxy]-6-methyl-2-pyridinyl]-2-(5-methyl-2-pyridinyl)ethanone;1-[4-[(2R)-2-methoxypropoxy]-6-methyl-2-pyridinyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;1-[6-methyl-4-[(3R)-oxolan-3-yl]oxy-2-pyridinyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone?
The IUPAC name of 2-(4-cyclopropyl-1,3-thiazol-2-yl)-1-[6-methyl-4-[(3R)-oxolan-3-yl]oxy-2-pyridinyl]ethanone;2-[4-(difluoromethyl)-1,3-thiazol-2-yl]-1-[6-methyl-4-[(3R)-oxolan-3-yl]oxy-2-pyridinyl]ethanone;2-(4-ethyl-1,3-thiazol-2-yl)-1-[6-methyl-4-[(3R)-oxolan-3-yl]oxy-2-pyridinyl]ethanone;1-[4-[(2S)-2-methoxypropoxy]-6-methyl-2-pyridinyl]-2-(5-methyl-2-pyridinyl)ethanone;1-[4-[(2R)-2-methoxypropoxy]-6-methyl-2-pyridinyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;1-[6-methyl-4-[(3R)-oxolan-3-yl]oxy-2-pyridinyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone (CID 158349744) is 2-(4-cyclopropyl-1,3-thiazol-2-yl)-1-[6-methyl-4-[(3R)-oxolan-3-yl]oxy-2-pyridinyl]ethanone;2-[4-(difluoromethyl)-1,3-thiazol-2-yl]-1-[6-methyl-4-[(3R)-oxolan-3-yl]oxy-2-pyridinyl]ethanone;2-(4-ethyl-1,3-thiazol-2-yl)-1-[6-methyl-4-[(3R)-oxolan-3-yl]oxy-2-pyridinyl]ethanone;1-[4-[(2S)-2-methoxypropoxy]-6-methyl-2-pyridinyl]-2-(5-methyl-2-pyridinyl)ethanone;1-[4-[(2R)-2-methoxypropoxy]-6-methyl-2-pyridinyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;1-[6-methyl-4-[(3R)-oxolan-3-yl]oxy-2-pyridinyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone.
What is the SMILES notation for 2-(4-cyclopropyl-1,3-thiazol-2-yl)-1-[6-methyl-4-[(3R)-oxolan-3-yl]oxy-2-pyridinyl]ethanone;2-[4-(difluoromethyl)-1,3-thiazol-2-yl]-1-[6-methyl-4-[(3R)-oxolan-3-yl]oxy-2-pyridinyl]ethanone;2-(4-ethyl-1,3-thiazol-2-yl)-1-[6-methyl-4-[(3R)-oxolan-3-yl]oxy-2-pyridinyl]ethanone;1-[4-[(2S)-2-methoxypropoxy]-6-methyl-2-pyridinyl]-2-(5-methyl-2-pyridinyl)ethanone;1-[4-[(2R)-2-methoxypropoxy]-6-methyl-2-pyridinyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;1-[6-methyl-4-[(3R)-oxolan-3-yl]oxy-2-pyridinyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone?
The canonical SMILES for 2-(4-cyclopropyl-1,3-thiazol-2-yl)-1-[6-methyl-4-[(3R)-oxolan-3-yl]oxy-2-pyridinyl]ethanone;2-[4-(difluoromethyl)-1,3-thiazol-2-yl]-1-[6-methyl-4-[(3R)-oxolan-3-yl]oxy-2-pyridinyl]ethanone;2-(4-ethyl-1,3-thiazol-2-yl)-1-[6-methyl-4-[(3R)-oxolan-3-yl]oxy-2-pyridinyl]ethanone;1-[4-[(2S)-2-methoxypropoxy]-6-methyl-2-pyridinyl]-2-(5-methyl-2-pyridinyl)ethanone;1-[4-[(2R)-2-methoxypropoxy]-6-methyl-2-pyridinyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;1-[6-methyl-4-[(3R)-oxolan-3-yl]oxy-2-pyridinyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone is CCc1csc(CC(=O)c2cc(O[C@@H]3CCOC3)cc(C)n2)n1.CO[C@@H](C)COc1cc(C)nc(C(=O)Cc2ccc(C)cn2)c1.CO[C@H](C)COc1cc(C)nc(C(=O)Cc2nc(C)cs2)c1.Cc1cc(O[C@@H]2CCOC2)cc(C(=O)Cc2nc(C(F)F)cs2)n1.Cc1cc(O[C@@H]2CCOC2)cc(C(=O)Cc2nc(C)cs2)n1.Cc1cc(O[C@@H]2CCOC2)cc(C(=O)Cc2nc(C3CC3)cs2)n1.
What is the InChIKey of 2-(4-cyclopropyl-1,3-thiazol-2-yl)-1-[6-methyl-4-[(3R)-oxolan-3-yl]oxy-2-pyridinyl]ethanone;2-[4-(difluoromethyl)-1,3-thiazol-2-yl]-1-[6-methyl-4-[(3R)-oxolan-3-yl]oxy-2-pyridinyl]ethanone;2-(4-ethyl-1,3-thiazol-2-yl)-1-[6-methyl-4-[(3R)-oxolan-3-yl]oxy-2-pyridinyl]ethanone;1-[4-[(2S)-2-methoxypropoxy]-6-methyl-2-pyridinyl]-2-(5-methyl-2-pyridinyl)ethanone;1-[4-[(2R)-2-methoxypropoxy]-6-methyl-2-pyridinyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;1-[6-methyl-4-[(3R)-oxolan-3-yl]oxy-2-pyridinyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone?
The InChIKey is GSDZCDUNUFHCFC-JHWOFBNBSA-N. The full InChI is InChI=1S/C18H20N2O3S.C18H22N2O3.C17H20N2O3S.C16H16F2N2O3S.C16H18N2O3S.C16H20N2O3S/c1-11-6-14(23-13-4-5-22-9-13)7-15(19-11)17(21)8-18-20-16(10-24-18)12-2-3-12;1-12-5-6-15(19-10-12)8-18(21)17-9-16(7-13(2)20-17)23-11-14(3)22-4;1-3-12-10-23-17(19-12)8-16(20)15-7-14(6-11(2)18-15)22-13-4-5-21-9-13;1-9-4-11(23-10-2-3-22-7-10)5-12(19-9)14(21)6-15-20-13(8-24-15)16(17)18;1-10-5-13(21-12-3-4-20-8-12)6-14(17-10)15(19)7-16-18-11(2)9-22-16;1-10-5-13(21-8-12(3)20-4)6-14(17-10)15(19)7-16-18-11(2)9-22-16/h6-7,10,12-13H,2-5,8-9H2,1H3;5-7,9-10,14H,8,11H2,1-4H3;6-7,10,13H,3-5,8-9H2,1-2H3;4-5,8,10,16H,2-3,6-7H2,1H3;5-6,9,12H,3-4,7-8H2,1-2H3;5-6,9,12H,7-8H2,1-4H3/t13-;14-;13-;10-;2*12-/m101111/s1.
What are the key properties of 2-(4-cyclopropyl-1,3-thiazol-2-yl)-1-[6-methyl-4-[(3R)-oxolan-3-yl]oxy-2-pyridinyl]ethanone;2-[4-(difluoromethyl)-1,3-thiazol-2-yl]-1-[6-methyl-4-[(3R)-oxolan-3-yl]oxy-2-pyridinyl]ethanone;2-(4-ethyl-1,3-thiazol-2-yl)-1-[6-methyl-4-[(3R)-oxolan-3-yl]oxy-2-pyridinyl]ethanone;1-[4-[(2S)-2-methoxypropoxy]-6-methyl-2-pyridinyl]-2-(5-methyl-2-pyridinyl)ethanone;1-[4-[(2R)-2-methoxypropoxy]-6-methyl-2-pyridinyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;1-[6-methyl-4-[(3R)-oxolan-3-yl]oxy-2-pyridinyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone?
2-(4-cyclopropyl-1,3-thiazol-2-yl)-1-[6-methyl-4-[(3R)-oxolan-3-yl]oxy-2-pyridinyl]ethanone;2-[4-(difluoromethyl)-1,3-thiazol-2-yl]-1-[6-methyl-4-[(3R)-oxolan-3-yl]oxy-2-pyridinyl]ethanone;2-(4-ethyl-1,3-thiazol-2-yl)-1-[6-methyl-4-[(3R)-oxolan-3-yl]oxy-2-pyridinyl]ethanone;1-[4-[(2S)-2-methoxypropoxy]-6-methyl-2-pyridinyl]-2-(5-methyl-2-pyridinyl)ethanone;1-[4-[(2R)-2-methoxypropoxy]-6-methyl-2-pyridinyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;1-[6-methyl-4-[(3R)-oxolan-3-yl]oxy-2-pyridinyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone has a molecular weight of 1984.44 g/mol, XLogP of 18.37, 37 rotatable bonds, 0 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyclopropyl-1,3-thiazol-2-yl)-1-[6-methyl-4-[(3R)-oxolan-3-yl]oxy-2-pyridinyl]ethanone;2-[4-(difluoromethyl)-1,3-thiazol-2-yl]-1-[6-methyl-4-[(3R)-oxolan-3-yl]oxy-2-pyridinyl]ethanone;2-(4-ethyl-1,3-thiazol-2-yl)-1-[6-methyl-4-[(3R)-oxolan-3-yl]oxy-2-pyridinyl]ethanone;1-[4-[(2S)-2-methoxypropoxy]-6-methyl-2-pyridinyl]-2-(5-methyl-2-pyridinyl)ethanone;1-[4-[(2R)-2-methoxypropoxy]-6-methyl-2-pyridinyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;1-[6-methyl-4-[(3R)-oxolan-3-yl]oxy-2-pyridinyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone is sourced from PubChem (CID 158349744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).