2-(4-ethyl-1,3-thiazol-2-yl)-1-[6-methyl-4-[(3R,5R)-5-methyloxolan-3-yl]oxy-2-pyridinyl]ethanone;2-[4-(1-fluoroethyl)-1,3-thiazol-2-yl]-1-[6-methyl-4-[(3R,5R)-5-methyloxolan-3-yl]oxy-2-pyridinyl]ethanone;1-[6-methyl-4-[(3R,5S)-5-methyloxolan-3-yl]oxy-2-pyridinyl]-2-(5-methyl-2-pyridinyl)ethanone;1-[6-methyl-4-[(3R,5R)-5-methyloxolan-3-yl]oxy-2-pyridinyl]-2-(5-methyl-2-pyridinyl)ethanone;1-[6-methyl-4-[(3R,5R)-5-methyloxolan-3-yl]oxy-2-pyridinyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone

C91H107FN10O15S3 — CID 157267949

IUPAC2-(4-ethyl-1,3-thiazol-2-yl)-1-[6-methyl-4-[(3R,5R)-5-methyloxolan-3-yl]oxy-2-pyridinyl]ethanone;2-[4-(1-fluoroethyl)-1,3-thiazol-2-yl]-1-[6-methyl-4-[(3R,5R)-5-methyloxolan-3-yl]oxy-2-pyridinyl]ethanone;1-[6-methyl-4-[(3R,5S)-5-methyloxolan-3-yl]oxy-2-pyridinyl]-2-(5-methyl-2-pyridinyl)ethanone;1-[6-methyl-4-[(3R,5R)-5-methyloxolan-3-yl]oxy-2-pyridinyl]-2-(5-methyl-2-pyridinyl)ethanone;1-[6-methyl-4-[(3R,5R)-5-methyloxolan-3-yl]oxy-2-pyridinyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone
SMILESCCc1csc(CC(=O)c2cc(O[C@H]3CO[C@H](C)C3)cc(C)n2)n1.Cc1cc(O[C@H]2CO[C@H](C)C2)cc(C(=O)Cc2nc(C(C)F)cs2)n1.Cc1cc(O[C@H]2CO[C@H](C)C2)cc(C(=O)Cc2nc(C)cs2)n1.Cc1ccc(CC(=O)c2cc(O[C@H]3CO[C@@H](C)C3)cc(C)n2)nc1.Cc1ccc(CC(=O)c2cc(O[C@H]3CO[C@H](C)C3)cc(C)n2)nc1
InChIInChI=1S/2C19H22N2O3.C18H21FN2O3S.C18H22N2O3S.C17H20N2O3S/c2*1-12-4-5-15(20-10-12)8-19(22)18-9-16(6-13(2)21-18)24-17-7-14(3)23-11-17;1-10-4-13(24-14-5-11(2)23-8-14)6-15(20-10)17(22)7-18-21-16(9-25-18)12(3)19;1-4-13-10-24-18(20-13)8-17(21)16-7-14(5-11(2)19-16)23-15-6-12(3)22-9-15;1-10-4-13(22-14-5-12(3)21-8-14)6-15(18-10)16(20)7-17-19-11(2)9-23-17/h2*4-6,9-10,14,17H,7-8,11H2,1-3H3;4,6,9,11-12,14H,5,7-8H2,1-3H3;5,7,10,12,15H,4,6,8-9H2,1-3H3;4,6,9,12,14H,5,7-8H2,1-3H3/t14-,17+;14-,17-;11-,12?,14-;12-,15-;12-,14-/m01111/s1
InChIKeyAYFALEHJPPNQSA-KKWJIXNLSA-N
MW1696.11 g/mol
LogP16.54
Rot. Bonds27

About 2-(4-ethyl-1,3-thiazol-2-yl)-1-[6-methyl-4-[(3R,5R)-5-methyloxolan-3-yl]oxy-2-pyridinyl]ethanone;2-[4-(1-fluoroethyl)-1,3-thiazol-2-yl]-1-[6-methyl-4-[(3R,5R)-5-methyloxolan-3-yl]oxy-2-pyridinyl]ethanone;1-[6-methyl-4-[(3R,5S)-5-methyloxolan-3-yl]oxy-2-pyridinyl]-2-(5-methyl-2-pyridinyl)ethanone;1-[6-methyl-4-[(3R,5R)-5-methyloxolan-3-yl]oxy-2-pyridinyl]-2-(5-methyl-2-pyridinyl)ethanone;1-[6-methyl-4-[(3R,5R)-5-methyloxolan-3-yl]oxy-2-pyridinyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone

2-(4-ethyl-1,3-thiazol-2-yl)-1-[6-methyl-4-[(3R,5R)-5-methyloxolan-3-yl]oxy-2-pyridinyl]ethanone;2-[4-(1-fluoroethyl)-1,3-thiazol-2-yl]-1-[6-methyl-4-[(3R,5R)-5-methyloxolan-3-yl]oxy-2-pyridinyl]ethanone;1-[6-methyl-4-[(3R,5S)-5-methyloxolan-3-yl]oxy-2-pyridinyl]-2-(5-methyl-2-pyridinyl)ethanone;1-[6-methyl-4-[(3R,5R)-5-methyloxolan-3-yl]oxy-2-pyridinyl]-2-(5-methyl-2-pyridinyl)ethanone;1-[6-methyl-4-[(3R,5R)-5-methyloxolan-3-yl]oxy-2-pyridinyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone (PubChem CID 157267949) has the molecular formula C91H107FN10O15S3 and a molecular weight of 1696.11 g/mol. Its IUPAC name is 2-(4-ethyl-1,3-thiazol-2-yl)-1-[6-methyl-4-[(3R,5R)-5-methyloxolan-3-yl]oxy-2-pyridinyl]ethanone;2-[4-(1-fluoroethyl)-1,3-thiazol-2-yl]-1-[6-methyl-4-[(3R,5R)-5-methyloxolan-3-yl]oxy-2-pyridinyl]ethanone;1-[6-methyl-4-[(3R,5S)-5-methyloxolan-3-yl]oxy-2-pyridinyl]-2-(5-methyl-2-pyridinyl)ethanone;1-[6-methyl-4-[(3R,5R)-5-methyloxolan-3-yl]oxy-2-pyridinyl]-2-(5-methyl-2-pyridinyl)ethanone;1-[6-methyl-4-[(3R,5R)-5-methyloxolan-3-yl]oxy-2-pyridinyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone.

Molecular Properties

Compound Name2-(4-ethyl-1,3-thiazol-2-yl)-1-[6-methyl-4-[(3R,5R)-5-methyloxolan-3-yl]oxy-2-pyridinyl]ethanone;2-[4-(1-fluoroethyl)-1,3-thiazol-2-yl]-1-[6-methyl-4-[(3R,5R)-5-methyloxolan-3-yl]oxy-2-pyridinyl]ethanone;1-[6-methyl-4-[(3R,5S)-5-methyloxolan-3-yl]oxy-2-pyridinyl]-2-(5-methyl-2-pyridinyl)ethanone;1-[6-methyl-4-[(3R,5R)-5-methyloxolan-3-yl]oxy-2-pyridinyl]-2-(5-methyl-2-pyridinyl)ethanone;1-[6-methyl-4-[(3R,5R)-5-methyloxolan-3-yl]oxy-2-pyridinyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone
PubChem CID157267949
Molecular FormulaC91H107FN10O15S3
Molecular Weight1696.11 g/mol
Exact Mass1694.71
IUPAC Name2-(4-ethyl-1,3-thiazol-2-yl)-1-[6-methyl-4-[(3R,5R)-5-methyloxolan-3-yl]oxy-2-pyridinyl]ethanone;2-[4-(1-fluoroethyl)-1,3-thiazol-2-yl]-1-[6-methyl-4-[(3R,5R)-5-methyloxolan-3-yl]oxy-2-pyridinyl]ethanone;1-[6-methyl-4-[(3R,5S)-5-methyloxolan-3-yl]oxy-2-pyridinyl]-2-(5-methyl-2-pyridinyl)ethanone;1-[6-methyl-4-[(3R,5R)-5-methyloxolan-3-yl]oxy-2-pyridinyl]-2-(5-methyl-2-pyridinyl)ethanone;1-[6-methyl-4-[(3R,5R)-5-methyloxolan-3-yl]oxy-2-pyridinyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone
SMILESCCc1csc(CC(=O)c2cc(O[C@H]3CO[C@H](C)C3)cc(C)n2)n1.Cc1cc(O[C@H]2CO[C@H](C)C2)cc(C(=O)Cc2nc(C(C)F)cs2)n1.Cc1cc(O[C@H]2CO[C@H](C)C2)cc(C(=O)Cc2nc(C)cs2)n1.Cc1ccc(CC(=O)c2cc(O[C@H]3CO[C@@H](C)C3)cc(C)n2)nc1.Cc1ccc(CC(=O)c2cc(O[C@H]3CO[C@H](C)C3)cc(C)n2)nc1
InChIInChI=1S/2C19H22N2O3.C18H21FN2O3S.C18H22N2O3S.C17H20N2O3S/c2*1-12-4-5-15(20-10-12)8-19(22)18-9-16(6-13(2)21-18)24-17-7-14(3)23-11-17;1-10-4-13(24-14-5-11(2)23-8-14)6-15(20-10)17(22)7-18-21-16(9-25-18)12(3)19;1-4-13-10-24-18(20-13)8-17(21)16-7-14(5-11(2)19-16)23-15-6-12(3)22-9-15;1-10-4-13(22-14-5-12(3)21-8-14)6-15(18-10)16(20)7-17-19-11(2)9-23-17/h2*4-6,9-10,14,17H,7-8,11H2,1-3H3;4,6,9,11-12,14H,5,7-8H2,1-3H3;5,7,10,12,15H,4,6,8-9H2,1-3H3;4,6,9,12,14H,5,7-8H2,1-3H3/t14-,17+;14-,17-;11-,12?,14-;12-,15-;12-,14-/m01111/s1
InChIKeyAYFALEHJPPNQSA-KKWJIXNLSA-N
XLogP16.54
TPSA306.55 Ų
H-Bond Donors
H-Bond Acceptors28
Rotatable Bonds27
Heavy Atoms120
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001696.11
LogP ≤ 516.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1028

Analyze 2-(4-ethyl-1,3-thiazol-2-yl)-1-[6-methyl-4-[(3R,5R)-5-methyloxolan-3-yl]oxy-2-pyridinyl]ethanone;2-[4-(1-fluoroethyl)-1,3-thiazol-2-yl]-1-[6-methyl-4-[(3R,5R)-5-methyloxolan-3-yl]oxy-2-pyridinyl]ethanone;1-[6-methyl-4-[(3R,5S)-5-methyloxolan-3-yl]oxy-2-pyridinyl]-2-(5-methyl-2-pyridinyl)ethanone;1-[6-methyl-4-[(3R,5R)-5-methyloxolan-3-yl]oxy-2-pyridinyl]-2-(5-methyl-2-pyridinyl)ethanone;1-[6-methyl-4-[(3R,5R)-5-methyloxolan-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-ethyl-1,3-thiazol-2-yl)-1-[6-methyl-4-[(3R,5R)-5-methyloxolan-3-yl]oxy-2-pyridinyl]ethanone;2-[4-(1-fluoroethyl)-1,3-thiazol-2-yl]-1-[6-methyl-4-[(3R,5R)-5-methyloxolan-3-yl]oxy-2-pyridinyl]ethanone;1-[6-methyl-4-[(3R,5S)-5-methyloxolan-3-yl]oxy-2-pyridinyl]-2-(5-methyl-2-pyridinyl)ethanone;1-[6-methyl-4-[(3R,5R)-5-methyloxolan-3-yl]oxy-2-pyridinyl]-2-(5-methyl-2-pyridinyl)ethanone;1-[6-methyl-4-[(3R,5R)-5-methyloxolan-3-yl]oxy-2-pyridinyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone?
The IUPAC name of 2-(4-ethyl-1,3-thiazol-2-yl)-1-[6-methyl-4-[(3R,5R)-5-methyloxolan-3-yl]oxy-2-pyridinyl]ethanone;2-[4-(1-fluoroethyl)-1,3-thiazol-2-yl]-1-[6-methyl-4-[(3R,5R)-5-methyloxolan-3-yl]oxy-2-pyridinyl]ethanone;1-[6-methyl-4-[(3R,5S)-5-methyloxolan-3-yl]oxy-2-pyridinyl]-2-(5-methyl-2-pyridinyl)ethanone;1-[6-methyl-4-[(3R,5R)-5-methyloxolan-3-yl]oxy-2-pyridinyl]-2-(5-methyl-2-pyridinyl)ethanone;1-[6-methyl-4-[(3R,5R)-5-methyloxolan-3-yl]oxy-2-pyridinyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone (CID 157267949) is 2-(4-ethyl-1,3-thiazol-2-yl)-1-[6-methyl-4-[(3R,5R)-5-methyloxolan-3-yl]oxy-2-pyridinyl]ethanone;2-[4-(1-fluoroethyl)-1,3-thiazol-2-yl]-1-[6-methyl-4-[(3R,5R)-5-methyloxolan-3-yl]oxy-2-pyridinyl]ethanone;1-[6-methyl-4-[(3R,5S)-5-methyloxolan-3-yl]oxy-2-pyridinyl]-2-(5-methyl-2-pyridinyl)ethanone;1-[6-methyl-4-[(3R,5R)-5-methyloxolan-3-yl]oxy-2-pyridinyl]-2-(5-methyl-2-pyridinyl)ethanone;1-[6-methyl-4-[(3R,5R)-5-methyloxolan-3-yl]oxy-2-pyridinyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone.
What is the SMILES notation for 2-(4-ethyl-1,3-thiazol-2-yl)-1-[6-methyl-4-[(3R,5R)-5-methyloxolan-3-yl]oxy-2-pyridinyl]ethanone;2-[4-(1-fluoroethyl)-1,3-thiazol-2-yl]-1-[6-methyl-4-[(3R,5R)-5-methyloxolan-3-yl]oxy-2-pyridinyl]ethanone;1-[6-methyl-4-[(3R,5S)-5-methyloxolan-3-yl]oxy-2-pyridinyl]-2-(5-methyl-2-pyridinyl)ethanone;1-[6-methyl-4-[(3R,5R)-5-methyloxolan-3-yl]oxy-2-pyridinyl]-2-(5-methyl-2-pyridinyl)ethanone;1-[6-methyl-4-[(3R,5R)-5-methyloxolan-3-yl]oxy-2-pyridinyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone?
The canonical SMILES for 2-(4-ethyl-1,3-thiazol-2-yl)-1-[6-methyl-4-[(3R,5R)-5-methyloxolan-3-yl]oxy-2-pyridinyl]ethanone;2-[4-(1-fluoroethyl)-1,3-thiazol-2-yl]-1-[6-methyl-4-[(3R,5R)-5-methyloxolan-3-yl]oxy-2-pyridinyl]ethanone;1-[6-methyl-4-[(3R,5S)-5-methyloxolan-3-yl]oxy-2-pyridinyl]-2-(5-methyl-2-pyridinyl)ethanone;1-[6-methyl-4-[(3R,5R)-5-methyloxolan-3-yl]oxy-2-pyridinyl]-2-(5-methyl-2-pyridinyl)ethanone;1-[6-methyl-4-[(3R,5R)-5-methyloxolan-3-yl]oxy-2-pyridinyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone is CCc1csc(CC(=O)c2cc(O[C@H]3CO[C@H](C)C3)cc(C)n2)n1.Cc1cc(O[C@H]2CO[C@H](C)C2)cc(C(=O)Cc2nc(C(C)F)cs2)n1.Cc1cc(O[C@H]2CO[C@H](C)C2)cc(C(=O)Cc2nc(C)cs2)n1.Cc1ccc(CC(=O)c2cc(O[C@H]3CO[C@@H](C)C3)cc(C)n2)nc1.Cc1ccc(CC(=O)c2cc(O[C@H]3CO[C@H](C)C3)cc(C)n2)nc1.
What is the InChIKey of 2-(4-ethyl-1,3-thiazol-2-yl)-1-[6-methyl-4-[(3R,5R)-5-methyloxolan-3-yl]oxy-2-pyridinyl]ethanone;2-[4-(1-fluoroethyl)-1,3-thiazol-2-yl]-1-[6-methyl-4-[(3R,5R)-5-methyloxolan-3-yl]oxy-2-pyridinyl]ethanone;1-[6-methyl-4-[(3R,5S)-5-methyloxolan-3-yl]oxy-2-pyridinyl]-2-(5-methyl-2-pyridinyl)ethanone;1-[6-methyl-4-[(3R,5R)-5-methyloxolan-3-yl]oxy-2-pyridinyl]-2-(5-methyl-2-pyridinyl)ethanone;1-[6-methyl-4-[(3R,5R)-5-methyloxolan-3-yl]oxy-2-pyridinyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone?
The InChIKey is AYFALEHJPPNQSA-KKWJIXNLSA-N. The full InChI is InChI=1S/2C19H22N2O3.C18H21FN2O3S.C18H22N2O3S.C17H20N2O3S/c2*1-12-4-5-15(20-10-12)8-19(22)18-9-16(6-13(2)21-18)24-17-7-14(3)23-11-17;1-10-4-13(24-14-5-11(2)23-8-14)6-15(20-10)17(22)7-18-21-16(9-25-18)12(3)19;1-4-13-10-24-18(20-13)8-17(21)16-7-14(5-11(2)19-16)23-15-6-12(3)22-9-15;1-10-4-13(22-14-5-12(3)21-8-14)6-15(18-10)16(20)7-17-19-11(2)9-23-17/h2*4-6,9-10,14,17H,7-8,11H2,1-3H3;4,6,9,11-12,14H,5,7-8H2,1-3H3;5,7,10,12,15H,4,6,8-9H2,1-3H3;4,6,9,12,14H,5,7-8H2,1-3H3/t14-,17+;14-,17-;11-,12?,14-;12-,15-;12-,14-/m01111/s1.
What are the key properties of 2-(4-ethyl-1,3-thiazol-2-yl)-1-[6-methyl-4-[(3R,5R)-5-methyloxolan-3-yl]oxy-2-pyridinyl]ethanone;2-[4-(1-fluoroethyl)-1,3-thiazol-2-yl]-1-[6-methyl-4-[(3R,5R)-5-methyloxolan-3-yl]oxy-2-pyridinyl]ethanone;1-[6-methyl-4-[(3R,5S)-5-methyloxolan-3-yl]oxy-2-pyridinyl]-2-(5-methyl-2-pyridinyl)ethanone;1-[6-methyl-4-[(3R,5R)-5-methyloxolan-3-yl]oxy-2-pyridinyl]-2-(5-methyl-2-pyridinyl)ethanone;1-[6-methyl-4-[(3R,5R)-5-methyloxolan-3-yl]oxy-2-pyridinyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone?
2-(4-ethyl-1,3-thiazol-2-yl)-1-[6-methyl-4-[(3R,5R)-5-methyloxolan-3-yl]oxy-2-pyridinyl]ethanone;2-[4-(1-fluoroethyl)-1,3-thiazol-2-yl]-1-[6-methyl-4-[(3R,5R)-5-methyloxolan-3-yl]oxy-2-pyridinyl]ethanone;1-[6-methyl-4-[(3R,5S)-5-methyloxolan-3-yl]oxy-2-pyridinyl]-2-(5-methyl-2-pyridinyl)ethanone;1-[6-methyl-4-[(3R,5R)-5-methyloxolan-3-yl]oxy-2-pyridinyl]-2-(5-methyl-2-pyridinyl)ethanone;1-[6-methyl-4-[(3R,5R)-5-methyloxolan-3-yl]oxy-2-pyridinyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone has a molecular weight of 1696.11 g/mol, XLogP of 16.54, 27 rotatable bonds, 0 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethyl-1,3-thiazol-2-yl)-1-[6-methyl-4-[(3R,5R)-5-methyloxolan-3-yl]oxy-2-pyridinyl]ethanone;2-[4-(1-fluoroethyl)-1,3-thiazol-2-yl]-1-[6-methyl-4-[(3R,5R)-5-methyloxolan-3-yl]oxy-2-pyridinyl]ethanone;1-[6-methyl-4-[(3R,5S)-5-methyloxolan-3-yl]oxy-2-pyridinyl]-2-(5-methyl-2-pyridinyl)ethanone;1-[6-methyl-4-[(3R,5R)-5-methyloxolan-3-yl]oxy-2-pyridinyl]-2-(5-methyl-2-pyridinyl)ethanone;1-[6-methyl-4-[(3R,5R)-5-methyloxolan-3-yl]oxy-2-pyridinyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone is sourced from PubChem (CID 157267949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).