5-[2-[6-(4-chlorophenyl)-1,3-benzothiazol-2-yl]acetyl]-6,7-dihydro-5H-indolizin-8-one;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;5-[2-[5-(4-propan-2-yloxyphenyl)-1,3-thiazol-2-yl]acetyl]-6,7-dihydro-5H-indolizin-8-one;5-[2-[5-[4-(2,2,2-trifluoroethoxy)phenyl]-1,3-thiazol-2-yl]acetyl]-6,7-dihydro-5H-indolizin-8-one;5-[2-[5-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-2-yl]acetyl]-6,7-dihydro-5H-indolizin-8-one

C110H97ClF6N10O14S5 — CID 167599122

IUPAC5-[2-[6-(4-chlorophenyl)-1,3-benzothiazol-2-yl]acetyl]-6,7-dihydro-5H-indolizin-8-one;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;5-[2-[5-(4-propan-2-yloxyphenyl)-1,3-thiazol-2-yl]acetyl]-6,7-dihydro-5H-indolizin-8-one;5-[2-[5-[4-(2,2,2-trifluoroethoxy)phenyl]-1,3-thiazol-2-yl]acetyl]-6,7-dihydro-5H-indolizin-8-one;5-[2-[5-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-2-yl]acetyl]-6,7-dihydro-5H-indolizin-8-one
SMILESCC(C)Oc1ccc(-c2cnc(CC(=O)C3CCC(=O)c4cccn43)s2)cc1.Cc1nc(CC(=O)C2CCC(=O)c3cccn32)sc1-c1ccc(OC(C)(C)C)cc1.O=C1CCC(C(=O)Cc2nc3ccc(-c4ccc(Cl)cc4)cc3s2)n2cccc21.O=C1CCC(C(=O)Cc2ncc(-c3ccc(OC(F)(F)F)cc3)s2)n2cccc21.O=C1CCC(C(=O)Cc2ncc(-c3ccc(OCC(F)(F)F)cc3)s2)n2cccc21
InChIInChI=1S/C24H26N2O3S.C23H17ClN2O2S.C22H22N2O3S.C21H17F3N2O3S.C20H15F3N2O3S/c1-15-23(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;24-16-6-3-14(4-7-16)15-5-8-17-22(12-15)29-23(25-17)13-21(28)19-9-10-20(27)18-2-1-11-26(18)19;1-14(2)27-16-7-5-15(6-8-16)21-13-23-22(28-21)12-20(26)18-9-10-19(25)17-4-3-11-24(17)18;22-21(23,24)12-29-14-5-3-13(4-6-14)19-11-25-20(30-19)10-18(28)16-7-8-17(27)15-2-1-9-26(15)16;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/h5-10,13,19H,11-12,14H2,1-4H3;1-8,11-12,19H,9-10,13H2;3-8,11,13-14,18H,9-10,12H2,1-2H3;1-6,9,11,16H,7-8,10,12H2;1-6,9,11,15H,7-8,10H2
InChIKeyJMGDNZKESYVNJZ-UHFFFAOYSA-N
MW2092.82 g/mol
LogP25.62
Rot. Bonds26

About 5-[2-[6-(4-chlorophenyl)-1,3-benzothiazol-2-yl]acetyl]-6,7-dihydro-5H-indolizin-8-one;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;5-[2-[5-(4-propan-2-yloxyphenyl)-1,3-thiazol-2-yl]acetyl]-6,7-dihydro-5H-indolizin-8-one;5-[2-[5-[4-(2,2,2-trifluoroethoxy)phenyl]-1,3-thiazol-2-yl]acetyl]-6,7-dihydro-5H-indolizin-8-one;5-[2-[5-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-2-yl]acetyl]-6,7-dihydro-5H-indolizin-8-one

5-[2-[6-(4-chlorophenyl)-1,3-benzothiazol-2-yl]acetyl]-6,7-dihydro-5H-indolizin-8-one;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;5-[2-[5-(4-propan-2-yloxyphenyl)-1,3-thiazol-2-yl]acetyl]-6,7-dihydro-5H-indolizin-8-one;5-[2-[5-[4-(2,2,2-trifluoroethoxy)phenyl]-1,3-thiazol-2-yl]acetyl]-6,7-dihydro-5H-indolizin-8-one;5-[2-[5-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-2-yl]acetyl]-6,7-dihydro-5H-indolizin-8-one (PubChem CID 167599122) has the molecular formula C110H97ClF6N10O14S5 and a molecular weight of 2092.82 g/mol. Its IUPAC name is 5-[2-[6-(4-chlorophenyl)-1,3-benzothiazol-2-yl]acetyl]-6,7-dihydro-5H-indolizin-8-one;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;5-[2-[5-(4-propan-2-yloxyphenyl)-1,3-thiazol-2-yl]acetyl]-6,7-dihydro-5H-indolizin-8-one;5-[2-[5-[4-(2,2,2-trifluoroethoxy)phenyl]-1,3-thiazol-2-yl]acetyl]-6,7-dihydro-5H-indolizin-8-one;5-[2-[5-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-2-yl]acetyl]-6,7-dihydro-5H-indolizin-8-one.

Molecular Properties

Compound Name5-[2-[6-(4-chlorophenyl)-1,3-benzothiazol-2-yl]acetyl]-6,7-dihydro-5H-indolizin-8-one;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;5-[2-[5-(4-propan-2-yloxyphenyl)-1,3-thiazol-2-yl]acetyl]-6,7-dihydro-5H-indolizin-8-one;5-[2-[5-[4-(2,2,2-trifluoroethoxy)phenyl]-1,3-thiazol-2-yl]acetyl]-6,7-dihydro-5H-indolizin-8-one;5-[2-[5-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-2-yl]acetyl]-6,7-dihydro-5H-indolizin-8-one
PubChem CID167599122
Molecular FormulaC110H97ClF6N10O14S5
Molecular Weight2092.82 g/mol
Exact Mass2090.54
IUPAC Name5-[2-[6-(4-chlorophenyl)-1,3-benzothiazol-2-yl]acetyl]-6,7-dihydro-5H-indolizin-8-one;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;5-[2-[5-(4-propan-2-yloxyphenyl)-1,3-thiazol-2-yl]acetyl]-6,7-dihydro-5H-indolizin-8-one;5-[2-[5-[4-(2,2,2-trifluoroethoxy)phenyl]-1,3-thiazol-2-yl]acetyl]-6,7-dihydro-5H-indolizin-8-one;5-[2-[5-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-2-yl]acetyl]-6,7-dihydro-5H-indolizin-8-one
SMILESCC(C)Oc1ccc(-c2cnc(CC(=O)C3CCC(=O)c4cccn43)s2)cc1.Cc1nc(CC(=O)C2CCC(=O)c3cccn32)sc1-c1ccc(OC(C)(C)C)cc1.O=C1CCC(C(=O)Cc2nc3ccc(-c4ccc(Cl)cc4)cc3s2)n2cccc21.O=C1CCC(C(=O)Cc2ncc(-c3ccc(OC(F)(F)F)cc3)s2)n2cccc21.O=C1CCC(C(=O)Cc2ncc(-c3ccc(OCC(F)(F)F)cc3)s2)n2cccc21
InChIInChI=1S/C24H26N2O3S.C23H17ClN2O2S.C22H22N2O3S.C21H17F3N2O3S.C20H15F3N2O3S/c1-15-23(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;24-16-6-3-14(4-7-16)15-5-8-17-22(12-15)29-23(25-17)13-21(28)19-9-10-20(27)18-2-1-11-26(18)19;1-14(2)27-16-7-5-15(6-8-16)21-13-23-22(28-21)12-20(26)18-9-10-19(25)17-4-3-11-24(17)18;22-21(23,24)12-29-14-5-3-13(4-6-14)19-11-25-20(30-19)10-18(28)16-7-8-17(27)15-2-1-9-26(15)16;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/h5-10,13,19H,11-12,14H2,1-4H3;1-8,11-12,19H,9-10,13H2;3-8,11,13-14,18H,9-10,12H2,1-2H3;1-6,9,11,16H,7-8,10,12H2;1-6,9,11,15H,7-8,10H2
InChIKeyJMGDNZKESYVNJZ-UHFFFAOYSA-N
XLogP25.62
TPSA296.72 Ų
H-Bond Donors
H-Bond Acceptors29
Rotatable Bonds26
Heavy Atoms146
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002092.82
LogP ≤ 525.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1029

Analyze 5-[2-[6-(4-chlorophenyl)-1,3-benzothiazol-2-yl]acetyl]-6,7-dihydro-5H-indolizin-8-one;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;5-[2-[5-(4-propan-2-yloxyphenyl)-1,3-thiazol-2-yl]acetyl]-6,7-dihydro-5H-indolizin-8-one;5-[2-[5-[4-(2,2,2-trifluoroethoxy)phenyl]-1,3-thiazol-2-yl]acetyl]-6,7-dihydro-5H-indolizin-8-one;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 5-[2-[6-(4-chlorophenyl)-1,3-benzothiazol-2-yl]acetyl]-6,7-dihydro-5H-indolizin-8-one;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;5-[2-[5-(4-propan-2-yloxyphenyl)-1,3-thiazol-2-yl]acetyl]-6,7-dihydro-5H-indolizin-8-one;5-[2-[5-[4-(2,2,2-trifluoroethoxy)phenyl]-1,3-thiazol-2-yl]acetyl]-6,7-dihydro-5H-indolizin-8-one;5-[2-[5-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-2-yl]acetyl]-6,7-dihydro-5H-indolizin-8-one?
The IUPAC name of 5-[2-[6-(4-chlorophenyl)-1,3-benzothiazol-2-yl]acetyl]-6,7-dihydro-5H-indolizin-8-one;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;5-[2-[5-(4-propan-2-yloxyphenyl)-1,3-thiazol-2-yl]acetyl]-6,7-dihydro-5H-indolizin-8-one;5-[2-[5-[4-(2,2,2-trifluoroethoxy)phenyl]-1,3-thiazol-2-yl]acetyl]-6,7-dihydro-5H-indolizin-8-one;5-[2-[5-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-2-yl]acetyl]-6,7-dihydro-5H-indolizin-8-one (CID 167599122) is 5-[2-[6-(4-chlorophenyl)-1,3-benzothiazol-2-yl]acetyl]-6,7-dihydro-5H-indolizin-8-one;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;5-[2-[5-(4-propan-2-yloxyphenyl)-1,3-thiazol-2-yl]acetyl]-6,7-dihydro-5H-indolizin-8-one;5-[2-[5-[4-(2,2,2-trifluoroethoxy)phenyl]-1,3-thiazol-2-yl]acetyl]-6,7-dihydro-5H-indolizin-8-one;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 5-[2-[6-(4-chlorophenyl)-1,3-benzothiazol-2-yl]acetyl]-6,7-dihydro-5H-indolizin-8-one;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;5-[2-[5-(4-propan-2-yloxyphenyl)-1,3-thiazol-2-yl]acetyl]-6,7-dihydro-5H-indolizin-8-one;5-[2-[5-[4-(2,2,2-trifluoroethoxy)phenyl]-1,3-thiazol-2-yl]acetyl]-6,7-dihydro-5H-indolizin-8-one;5-[2-[5-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-2-yl]acetyl]-6,7-dihydro-5H-indolizin-8-one?
The canonical SMILES for 5-[2-[6-(4-chlorophenyl)-1,3-benzothiazol-2-yl]acetyl]-6,7-dihydro-5H-indolizin-8-one;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;5-[2-[5-(4-propan-2-yloxyphenyl)-1,3-thiazol-2-yl]acetyl]-6,7-dihydro-5H-indolizin-8-one;5-[2-[5-[4-(2,2,2-trifluoroethoxy)phenyl]-1,3-thiazol-2-yl]acetyl]-6,7-dihydro-5H-indolizin-8-one;5-[2-[5-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-2-yl]acetyl]-6,7-dihydro-5H-indolizin-8-one is CC(C)Oc1ccc(-c2cnc(CC(=O)C3CCC(=O)c4cccn43)s2)cc1.Cc1nc(CC(=O)C2CCC(=O)c3cccn32)sc1-c1ccc(OC(C)(C)C)cc1.O=C1CCC(C(=O)Cc2nc3ccc(-c4ccc(Cl)cc4)cc3s2)n2cccc21.O=C1CCC(C(=O)Cc2ncc(-c3ccc(OC(F)(F)F)cc3)s2)n2cccc21.O=C1CCC(C(=O)Cc2ncc(-c3ccc(OCC(F)(F)F)cc3)s2)n2cccc21.
What is the InChIKey of 5-[2-[6-(4-chlorophenyl)-1,3-benzothiazol-2-yl]acetyl]-6,7-dihydro-5H-indolizin-8-one;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;5-[2-[5-(4-propan-2-yloxyphenyl)-1,3-thiazol-2-yl]acetyl]-6,7-dihydro-5H-indolizin-8-one;5-[2-[5-[4-(2,2,2-trifluoroethoxy)phenyl]-1,3-thiazol-2-yl]acetyl]-6,7-dihydro-5H-indolizin-8-one;5-[2-[5-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-2-yl]acetyl]-6,7-dihydro-5H-indolizin-8-one?
The InChIKey is JMGDNZKESYVNJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O3S.C23H17ClN2O2S.C22H22N2O3S.C21H17F3N2O3S.C20H15F3N2O3S/c1-15-23(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;24-16-6-3-14(4-7-16)15-5-8-17-22(12-15)29-23(25-17)13-21(28)19-9-10-20(27)18-2-1-11-26(18)19;1-14(2)27-16-7-5-15(6-8-16)21-13-23-22(28-21)12-20(26)18-9-10-19(25)17-4-3-11-24(17)18;22-21(23,24)12-29-14-5-3-13(4-6-14)19-11-25-20(30-19)10-18(28)16-7-8-17(27)15-2-1-9-26(15)16;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/h5-10,13,19H,11-12,14H2,1-4H3;1-8,11-12,19H,9-10,13H2;3-8,11,13-14,18H,9-10,12H2,1-2H3;1-6,9,11,16H,7-8,10,12H2;1-6,9,11,15H,7-8,10H2.
What are the key properties of 5-[2-[6-(4-chlorophenyl)-1,3-benzothiazol-2-yl]acetyl]-6,7-dihydro-5H-indolizin-8-one;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;5-[2-[5-(4-propan-2-yloxyphenyl)-1,3-thiazol-2-yl]acetyl]-6,7-dihydro-5H-indolizin-8-one;5-[2-[5-[4-(2,2,2-trifluoroethoxy)phenyl]-1,3-thiazol-2-yl]acetyl]-6,7-dihydro-5H-indolizin-8-one;5-[2-[5-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-2-yl]acetyl]-6,7-dihydro-5H-indolizin-8-one?
5-[2-[6-(4-chlorophenyl)-1,3-benzothiazol-2-yl]acetyl]-6,7-dihydro-5H-indolizin-8-one;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;5-[2-[5-(4-propan-2-yloxyphenyl)-1,3-thiazol-2-yl]acetyl]-6,7-dihydro-5H-indolizin-8-one;5-[2-[5-[4-(2,2,2-trifluoroethoxy)phenyl]-1,3-thiazol-2-yl]acetyl]-6,7-dihydro-5H-indolizin-8-one;5-[2-[5-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-2-yl]acetyl]-6,7-dihydro-5H-indolizin-8-one has a molecular weight of 2092.82 g/mol, XLogP of 25.62, 26 rotatable bonds, 0 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[6-(4-chlorophenyl)-1,3-benzothiazol-2-yl]acetyl]-6,7-dihydro-5H-indolizin-8-one;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;5-[2-[5-(4-propan-2-yloxyphenyl)-1,3-thiazol-2-yl]acetyl]-6,7-dihydro-5H-indolizin-8-one;5-[2-[5-[4-(2,2,2-trifluoroethoxy)phenyl]-1,3-thiazol-2-yl]acetyl]-6,7-dihydro-5H-indolizin-8-one;5-[2-[5-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-2-yl]acetyl]-6,7-dihydro-5H-indolizin-8-one is sourced from PubChem (CID 167599122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).