(5R)-5-[2-[4-methyl-5-[4-[(2-methylpropan-2-yl)oxy]phenyl]-1,3-thiazol-2-yl]acetyl]-6,7-dihydro-5H-indolizin-8-one;(5S)-5-[2-[4-methyl-5-[4-[(2-methylpropan-2-yl)oxy]phenyl]-1,3-thiazol-2-yl]acetyl]-6,7-dihydro-5H-indolizin-8-one;(5R)-5-[2-[5-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-2-yl]acetyl]-6,7-dihydro-5H-indolizin-8-one;(5S)-5-[2-[5-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-2-yl]acetyl]-6,7-dihydro-5H-indolizin-8-one

C88H82F6N8O12S4 — CID 160914643

IUPAC(5R)-5-[2-[4-methyl-5-[4-[(2-methylpropan-2-yl)oxy]phenyl]-1,3-thiazol-2-yl]acetyl]-6,7-dihydro-5H-indolizin-8-one;(5S)-5-[2-[4-methyl-5-[4-[(2-methylpropan-2-yl)oxy]phenyl]-1,3-thiazol-2-yl]acetyl]-6,7-dihydro-5H-indolizin-8-one;(5R)-5-[2-[5-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-2-yl]acetyl]-6,7-dihydro-5H-indolizin-8-one;(5S)-5-[2-[5-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-2-yl]acetyl]-6,7-dihydro-5H-indolizin-8-one
SMILESCc1nc(CC(=O)[C@@H]2CCC(=O)c3cccn32)sc1-c1ccc(OC(C)(C)C)cc1.Cc1nc(CC(=O)[C@H]2CCC(=O)c3cccn32)sc1-c1ccc(OC(C)(C)C)cc1.O=C1CC[C@@H](C(=O)Cc2ncc(-c3ccc(OC(F)(F)F)cc3)s2)n2cccc21.O=C1CC[C@H](C(=O)Cc2ncc(-c3ccc(OC(F)(F)F)cc3)s2)n2cccc21
InChIInChI=1S/2C24H26N2O3S.2C20H15F3N2O3S/c2*1-15-23(16-7-9-17(10-8-16)29-24(2,3)4)30-22(25-15)14-21(28)19-11-12-20(27)18-6-5-13-26(18)19;2*21-20(22,23)28-13-5-3-12(4-6-13)18-11-24-19(29-18)10-17(27)15-7-8-16(26)14-2-1-9-25(14)15/h2*5-10,13,19H,11-12,14H2,1-4H3;2*1-6,9,11,15H,7-8,10H2/t2*19-;2*15-/m1010/s1
InChIKeySRFXYSVYHXLJEP-YGUZPOOHSA-N
MW1685.92 g/mol
LogP20.53
Rot. Bonds20

About (5R)-5-[2-[4-methyl-5-[4-[(2-methylpropan-2-yl)oxy]phenyl]-1,3-thiazol-2-yl]acetyl]-6,7-dihydro-5H-indolizin-8-one;(5S)-5-[2-[4-methyl-5-[4-[(2-methylpropan-2-yl)oxy]phenyl]-1,3-thiazol-2-yl]acetyl]-6,7-dihydro-5H-indolizin-8-one;(5R)-5-[2-[5-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-2-yl]acetyl]-6,7-dihydro-5H-indolizin-8-one;(5S)-5-[2-[5-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-2-yl]acetyl]-6,7-dihydro-5H-indolizin-8-one

(5R)-5-[2-[4-methyl-5-[4-[(2-methylpropan-2-yl)oxy]phenyl]-1,3-thiazol-2-yl]acetyl]-6,7-dihydro-5H-indolizin-8-one;(5S)-5-[2-[4-methyl-5-[4-[(2-methylpropan-2-yl)oxy]phenyl]-1,3-thiazol-2-yl]acetyl]-6,7-dihydro-5H-indolizin-8-one;(5R)-5-[2-[5-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-2-yl]acetyl]-6,7-dihydro-5H-indolizin-8-one;(5S)-5-[2-[5-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-2-yl]acetyl]-6,7-dihydro-5H-indolizin-8-one (PubChem CID 160914643) has the molecular formula C88H82F6N8O12S4 and a molecular weight of 1685.92 g/mol. Its IUPAC name is (5R)-5-[2-[4-methyl-5-[4-[(2-methylpropan-2-yl)oxy]phenyl]-1,3-thiazol-2-yl]acetyl]-6,7-dihydro-5H-indolizin-8-one;(5S)-5-[2-[4-methyl-5-[4-[(2-methylpropan-2-yl)oxy]phenyl]-1,3-thiazol-2-yl]acetyl]-6,7-dihydro-5H-indolizin-8-one;(5R)-5-[2-[5-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-2-yl]acetyl]-6,7-dihydro-5H-indolizin-8-one;(5S)-5-[2-[5-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-2-yl]acetyl]-6,7-dihydro-5H-indolizin-8-one.

Molecular Properties

Compound Name(5R)-5-[2-[4-methyl-5-[4-[(2-methylpropan-2-yl)oxy]phenyl]-1,3-thiazol-2-yl]acetyl]-6,7-dihydro-5H-indolizin-8-one;(5S)-5-[2-[4-methyl-5-[4-[(2-methylpropan-2-yl)oxy]phenyl]-1,3-thiazol-2-yl]acetyl]-6,7-dihydro-5H-indolizin-8-one;(5R)-5-[2-[5-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-2-yl]acetyl]-6,7-dihydro-5H-indolizin-8-one;(5S)-5-[2-[5-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-2-yl]acetyl]-6,7-dihydro-5H-indolizin-8-one
PubChem CID160914643
Molecular FormulaC88H82F6N8O12S4
Molecular Weight1685.92 g/mol
Exact Mass1684.48
IUPAC Name(5R)-5-[2-[4-methyl-5-[4-[(2-methylpropan-2-yl)oxy]phenyl]-1,3-thiazol-2-yl]acetyl]-6,7-dihydro-5H-indolizin-8-one;(5S)-5-[2-[4-methyl-5-[4-[(2-methylpropan-2-yl)oxy]phenyl]-1,3-thiazol-2-yl]acetyl]-6,7-dihydro-5H-indolizin-8-one;(5R)-5-[2-[5-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-2-yl]acetyl]-6,7-dihydro-5H-indolizin-8-one;(5S)-5-[2-[5-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-2-yl]acetyl]-6,7-dihydro-5H-indolizin-8-one
SMILESCc1nc(CC(=O)[C@@H]2CCC(=O)c3cccn32)sc1-c1ccc(OC(C)(C)C)cc1.Cc1nc(CC(=O)[C@H]2CCC(=O)c3cccn32)sc1-c1ccc(OC(C)(C)C)cc1.O=C1CC[C@@H](C(=O)Cc2ncc(-c3ccc(OC(F)(F)F)cc3)s2)n2cccc21.O=C1CC[C@H](C(=O)Cc2ncc(-c3ccc(OC(F)(F)F)cc3)s2)n2cccc21
InChIInChI=1S/2C24H26N2O3S.2C20H15F3N2O3S/c2*1-15-23(16-7-9-17(10-8-16)29-24(2,3)4)30-22(25-15)14-21(28)19-11-12-20(27)18-6-5-13-26(18)19;2*21-20(22,23)28-13-5-3-12(4-6-13)18-11-24-19(29-18)10-17(27)15-7-8-16(26)14-2-1-9-25(14)15/h2*5-10,13,19H,11-12,14H2,1-4H3;2*1-6,9,11,15H,7-8,10H2/t2*19-;2*15-/m1010/s1
InChIKeySRFXYSVYHXLJEP-YGUZPOOHSA-N
XLogP20.53
TPSA244.76 Ų
H-Bond Donors
H-Bond Acceptors24
Rotatable Bonds20
Heavy Atoms118
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001685.92
LogP ≤ 520.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1024

Analyze (5R)-5-[2-[4-methyl-5-[4-[(2-methylpropan-2-yl)oxy]phenyl]-1,3-thiazol-2-yl]acetyl]-6,7-dihydro-5H-indolizin-8-one;(5S)-5-[2-[4-methyl-5-[4-[(2-methylpropan-2-yl)oxy]phenyl]-1,3-thiazol-2-yl]acetyl]-6,7-dihydro-5H-indolizin-8-one;(5R)-5-[2-[5-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-2-yl]acetyl]-6,7-dihydro-5H-indolizin-8-one;(5S)-5-[2-[5-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-2-yl]acetyl]-6,7-dihydro-5H-indolizin-8-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (5R)-5-[2-[4-methyl-5-[4-[(2-methylpropan-2-yl)oxy]phenyl]-1,3-thiazol-2-yl]acetyl]-6,7-dihydro-5H-indolizin-8-one;(5S)-5-[2-[4-methyl-5-[4-[(2-methylpropan-2-yl)oxy]phenyl]-1,3-thiazol-2-yl]acetyl]-6,7-dihydro-5H-indolizin-8-one;(5R)-5-[2-[5-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-2-yl]acetyl]-6,7-dihydro-5H-indolizin-8-one;(5S)-5-[2-[5-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-2-yl]acetyl]-6,7-dihydro-5H-indolizin-8-one?
The IUPAC name of (5R)-5-[2-[4-methyl-5-[4-[(2-methylpropan-2-yl)oxy]phenyl]-1,3-thiazol-2-yl]acetyl]-6,7-dihydro-5H-indolizin-8-one;(5S)-5-[2-[4-methyl-5-[4-[(2-methylpropan-2-yl)oxy]phenyl]-1,3-thiazol-2-yl]acetyl]-6,7-dihydro-5H-indolizin-8-one;(5R)-5-[2-[5-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-2-yl]acetyl]-6,7-dihydro-5H-indolizin-8-one;(5S)-5-[2-[5-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-2-yl]acetyl]-6,7-dihydro-5H-indolizin-8-one (CID 160914643) is (5R)-5-[2-[4-methyl-5-[4-[(2-methylpropan-2-yl)oxy]phenyl]-1,3-thiazol-2-yl]acetyl]-6,7-dihydro-5H-indolizin-8-one;(5S)-5-[2-[4-methyl-5-[4-[(2-methylpropan-2-yl)oxy]phenyl]-1,3-thiazol-2-yl]acetyl]-6,7-dihydro-5H-indolizin-8-one;(5R)-5-[2-[5-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-2-yl]acetyl]-6,7-dihydro-5H-indolizin-8-one;(5S)-5-[2-[5-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-2-yl]acetyl]-6,7-dihydro-5H-indolizin-8-one.
What is the SMILES notation for (5R)-5-[2-[4-methyl-5-[4-[(2-methylpropan-2-yl)oxy]phenyl]-1,3-thiazol-2-yl]acetyl]-6,7-dihydro-5H-indolizin-8-one;(5S)-5-[2-[4-methyl-5-[4-[(2-methylpropan-2-yl)oxy]phenyl]-1,3-thiazol-2-yl]acetyl]-6,7-dihydro-5H-indolizin-8-one;(5R)-5-[2-[5-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-2-yl]acetyl]-6,7-dihydro-5H-indolizin-8-one;(5S)-5-[2-[5-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-2-yl]acetyl]-6,7-dihydro-5H-indolizin-8-one?
The canonical SMILES for (5R)-5-[2-[4-methyl-5-[4-[(2-methylpropan-2-yl)oxy]phenyl]-1,3-thiazol-2-yl]acetyl]-6,7-dihydro-5H-indolizin-8-one;(5S)-5-[2-[4-methyl-5-[4-[(2-methylpropan-2-yl)oxy]phenyl]-1,3-thiazol-2-yl]acetyl]-6,7-dihydro-5H-indolizin-8-one;(5R)-5-[2-[5-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-2-yl]acetyl]-6,7-dihydro-5H-indolizin-8-one;(5S)-5-[2-[5-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-2-yl]acetyl]-6,7-dihydro-5H-indolizin-8-one is Cc1nc(CC(=O)[C@@H]2CCC(=O)c3cccn32)sc1-c1ccc(OC(C)(C)C)cc1.Cc1nc(CC(=O)[C@H]2CCC(=O)c3cccn32)sc1-c1ccc(OC(C)(C)C)cc1.O=C1CC[C@@H](C(=O)Cc2ncc(-c3ccc(OC(F)(F)F)cc3)s2)n2cccc21.O=C1CC[C@H](C(=O)Cc2ncc(-c3ccc(OC(F)(F)F)cc3)s2)n2cccc21.
What is the InChIKey of (5R)-5-[2-[4-methyl-5-[4-[(2-methylpropan-2-yl)oxy]phenyl]-1,3-thiazol-2-yl]acetyl]-6,7-dihydro-5H-indolizin-8-one;(5S)-5-[2-[4-methyl-5-[4-[(2-methylpropan-2-yl)oxy]phenyl]-1,3-thiazol-2-yl]acetyl]-6,7-dihydro-5H-indolizin-8-one;(5R)-5-[2-[5-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-2-yl]acetyl]-6,7-dihydro-5H-indolizin-8-one;(5S)-5-[2-[5-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-2-yl]acetyl]-6,7-dihydro-5H-indolizin-8-one?
The InChIKey is SRFXYSVYHXLJEP-YGUZPOOHSA-N. The full InChI is InChI=1S/2C24H26N2O3S.2C20H15F3N2O3S/c2*1-15-23(16-7-9-17(10-8-16)29-24(2,3)4)30-22(25-15)14-21(28)19-11-12-20(27)18-6-5-13-26(18)19;2*21-20(22,23)28-13-5-3-12(4-6-13)18-11-24-19(29-18)10-17(27)15-7-8-16(26)14-2-1-9-25(14)15/h2*5-10,13,19H,11-12,14H2,1-4H3;2*1-6,9,11,15H,7-8,10H2/t2*19-;2*15-/m1010/s1.
What are the key properties of (5R)-5-[2-[4-methyl-5-[4-[(2-methylpropan-2-yl)oxy]phenyl]-1,3-thiazol-2-yl]acetyl]-6,7-dihydro-5H-indolizin-8-one;(5S)-5-[2-[4-methyl-5-[4-[(2-methylpropan-2-yl)oxy]phenyl]-1,3-thiazol-2-yl]acetyl]-6,7-dihydro-5H-indolizin-8-one;(5R)-5-[2-[5-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-2-yl]acetyl]-6,7-dihydro-5H-indolizin-8-one;(5S)-5-[2-[5-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-2-yl]acetyl]-6,7-dihydro-5H-indolizin-8-one?
(5R)-5-[2-[4-methyl-5-[4-[(2-methylpropan-2-yl)oxy]phenyl]-1,3-thiazol-2-yl]acetyl]-6,7-dihydro-5H-indolizin-8-one;(5S)-5-[2-[4-methyl-5-[4-[(2-methylpropan-2-yl)oxy]phenyl]-1,3-thiazol-2-yl]acetyl]-6,7-dihydro-5H-indolizin-8-one;(5R)-5-[2-[5-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-2-yl]acetyl]-6,7-dihydro-5H-indolizin-8-one;(5S)-5-[2-[5-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-2-yl]acetyl]-6,7-dihydro-5H-indolizin-8-one has a molecular weight of 1685.92 g/mol, XLogP of 20.53, 20 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-[2-[4-methyl-5-[4-[(2-methylpropan-2-yl)oxy]phenyl]-1,3-thiazol-2-yl]acetyl]-6,7-dihydro-5H-indolizin-8-one;(5S)-5-[2-[4-methyl-5-[4-[(2-methylpropan-2-yl)oxy]phenyl]-1,3-thiazol-2-yl]acetyl]-6,7-dihydro-5H-indolizin-8-one;(5R)-5-[2-[5-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-2-yl]acetyl]-6,7-dihydro-5H-indolizin-8-one;(5S)-5-[2-[5-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-2-yl]acetyl]-6,7-dihydro-5H-indolizin-8-one is sourced from PubChem (CID 160914643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).