1-[(2S,4R)-1-(3-chloro-2-methylbenzoyl)-4-hydroxypyrrolidin-2-yl]-3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propan-1-one;1-[(2S,4R)-1-(2,6-dimethylbenzoyl)-4-hydroxypyrrolidin-2-yl]-3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propan-1-one;1-[(2S,4R)-4-hydroxy-1-(5-hydroxy-2-methylbenzoyl)pyrrolidin-2-yl]-3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propan-1-one;1-[(2S,4R)-4-hydroxy-1-(thiophene-2-carbonyl)pyrrolidin-2-yl]-3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propan-1-one;1-[(2S,4R)-4-hydroxy-1-(thiophene-3-carbonyl)pyrrolidin-2-yl]-3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propan-1-one

C120H123ClN10O16S7 — CID 160552448

About 1-[(2S,4R)-1-(3-chloro-2-methylbenzoyl)-4-hydroxypyrrolidin-2-yl]-3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propan-1-one;1-[(2S,4R)-1-(2,6-dimethylbenzoyl)-4-hydroxypyrrolidin-2-yl]-3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propan-1-one;1-[(2S,4R)-4-hydroxy-1-(5-hydroxy-2-methylbenzoyl)pyrrolidin-2-yl]-3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propan-1-one;1-[(2S,4R)-4-hydroxy-1-(thiophene-2-carbonyl)pyrrolidin-2-yl]-3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propan-1-one;1-[(2S,4R)-4-hydroxy-1-(thiophene-3-carbonyl)pyrrolidin-2-yl]-3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propan-1-one

1-[(2S,4R)-1-(3-chloro-2-methylbenzoyl)-4-hydroxypyrrolidin-2-yl]-3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propan-1-one;1-[(2S,4R)-1-(2,6-dimethylbenzoyl)-4-hydroxypyrrolidin-2-yl]-3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propan-1-one;1-[(2S,4R)-4-hydroxy-1-(5-hydroxy-2-methylbenzoyl)pyrrolidin-2-yl]-3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propan-1-one;1-[(2S,4R)-4-hydroxy-1-(thiophene-2-carbonyl)pyrrolidin-2-yl]-3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propan-1-one;1-[(2S,4R)-4-hydroxy-1-(thiophene-3-carbonyl)pyrrolidin-2-yl]-3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propan-1-one (PubChem CID 160552448) has the molecular formula C120H123ClN10O16S7 and a molecular weight of 2221.28 g/mol. Its IUPAC name is 1-[(2S,4R)-1-(3-chloro-2-methylbenzoyl)-4-hydroxypyrrolidin-2-yl]-3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propan-1-one;1-[(2S,4R)-1-(2,6-dimethylbenzoyl)-4-hydroxypyrrolidin-2-yl]-3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propan-1-one;1-[(2S,4R)-4-hydroxy-1-(5-hydroxy-2-methylbenzoyl)pyrrolidin-2-yl]-3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propan-1-one;1-[(2S,4R)-4-hydroxy-1-(thiophene-2-carbonyl)pyrrolidin-2-yl]-3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propan-1-one;1-[(2S,4R)-4-hydroxy-1-(thiophene-3-carbonyl)pyrrolidin-2-yl]-3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propan-1-one.

Molecular Properties

• Compound Name: 1-[(2S,4R)-1-(3-chloro-2-methylbenzoyl)-4-hydroxypyrrolidin-2-yl]-3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propan-1-one;1-[(2S,4R)-1-(2,6-dimethylbenzoyl)-4-hydroxypyrrolidin-2-yl]-3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propan-1-one;1-[(2S,4R)-4-hydroxy-1-(5-hydroxy-2-methylbenzoyl)pyrrolidin-2-yl]-3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propan-1-one;1-[(2S,4R)-4-hydroxy-1-(thiophene-2-carbonyl)pyrrolidin-2-yl]-3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propan-1-one;1-[(2S,4R)-4-hydroxy-1-(thiophene-3-carbonyl)pyrrolidin-2-yl]-3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propan-1-one
• PubChem CID: 160552448
• Molecular Formula: C120H123ClN10O16S7
• Molecular Weight: 2221.28 g/mol
• Exact Mass: 2218.69
• IUPAC Name: 1-[(2S,4R)-1-(3-chloro-2-methylbenzoyl)-4-hydroxypyrrolidin-2-yl]-3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propan-1-one;1-[(2S,4R)-1-(2,6-dimethylbenzoyl)-4-hydroxypyrrolidin-2-yl]-3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propan-1-one;1-[(2S,4R)-4-hydroxy-1-(5-hydroxy-2-methylbenzoyl)pyrrolidin-2-yl]-3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propan-1-one;1-[(2S,4R)-4-hydroxy-1-(thiophene-2-carbonyl)pyrrolidin-2-yl]-3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propan-1-one;1-[(2S,4R)-4-hydroxy-1-(thiophene-3-carbonyl)pyrrolidin-2-yl]-3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propan-1-one
• SMILES: Cc1ccc(O)cc1C(=O)N1C[C@H](O)C[C@H]1C(=O)CCc1ccc(-c2scnc2C)cc1.Cc1cccc(C)c1C(=O)N1C[C@H](O)C[C@H]1C(=O)CCc1ccc(-c2scnc2C)cc1.Cc1ncsc1-c1ccc(CCC(=O)[C@@H]2C[C@@H](O)CN2C(=O)c2cccc(Cl)c2C)cc1.Cc1ncsc1-c1ccc(CCC(=O)[C@@H]2C[C@@H](O)CN2C(=O)c2cccs2)cc1.Cc1ncsc1-c1ccc(CCC(=O)[C@@H]2C[C@@H](O)CN2C(=O)c2ccsc2)cc1
• InChI: InChI=1S/C26H28N2O3S.C25H25ClN2O3S.C25H26N2O4S.2C22H22N2O3S2/c1-16-5-4-6-17(2)24(16)26(31)28-14-21(29)13-22(28)23(30)12-9-19-7-10-20(11-8-19)25-18(3)27-15-32-25;1-15-20(4-3-5-21(15)26)25(31)28-13-19(29)12-22(28)23(30)11-8-17-6-9-18(10-7-17)24-16(2)27-14-32-24;1-15-3-9-19(28)11-21(15)25(31)27-13-20(29)12-22(27)23(30)10-6-17-4-7-18(8-5-17)24-16(2)26-14-32-24;1-14-21(29-13-23-14)16-5-2-15(3-6-16)4-7-20(26)19-10-18(25)11-24(19)22(27)17-8-9-28-12-17;1-14-21(29-13-23-14)16-7-4-15(5-8-16)6-9-19(26)18-11-17(25)12-24(18)22(27)20-3-2-10-28-20/h4-8,10-11,15,21-22,29H,9,12-14H2,1-3H3;3-7,9-10,14,19,22,29H,8,11-13H2,1-2H3;3-5,7-9,11,14,20,22,28-29H,6,10,12-13H2,1-2H3;2-3,5-6,8-9,12-13,18-19,25H,4,7,10-11H2,1H3;2-5,7-8,10,13,17-18,25H,6,9,11-12H2,1H3/t21-,22+;19-,22+;20-,22+;18-,19+;17-,18+/m11111/s1
• InChIKey: QYGFQBJGVFXVKW-LNGJCCQPSA-N
• XLogP: 21.19
• TPSA: 372.73 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 28
• Rotatable Bonds: 30
• Heavy Atoms: 154
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2221.28
LogP ≤ 5	21.19
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	28

Frequently Asked Questions

What is the IUPAC name of 1-[(2S,4R)-1-(3-chloro-2-methylbenzoyl)-4-hydroxypyrrolidin-2-yl]-3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propan-1-one;1-[(2S,4R)-1-(2,6-dimethylbenzoyl)-4-hydroxypyrrolidin-2-yl]-3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propan-1-one;1-[(2S,4R)-4-hydroxy-1-(5-hydroxy-2-methylbenzoyl)pyrrolidin-2-yl]-3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propan-1-one;1-[(2S,4R)-4-hydroxy-1-(thiophene-2-carbonyl)pyrrolidin-2-yl]-3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propan-1-one;1-[(2S,4R)-4-hydroxy-1-(thiophene-3-carbonyl)pyrrolidin-2-yl]-3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propan-1-one?

The IUPAC name of 1-[(2S,4R)-1-(3-chloro-2-methylbenzoyl)-4-hydroxypyrrolidin-2-yl]-3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propan-1-one;1-[(2S,4R)-1-(2,6-dimethylbenzoyl)-4-hydroxypyrrolidin-2-yl]-3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propan-1-one;1-[(2S,4R)-4-hydroxy-1-(5-hydroxy-2-methylbenzoyl)pyrrolidin-2-yl]-3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propan-1-one;1-[(2S,4R)-4-hydroxy-1-(thiophene-2-carbonyl)pyrrolidin-2-yl]-3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propan-1-one;1-[(2S,4R)-4-hydroxy-1-(thiophene-3-carbonyl)pyrrolidin-2-yl]-3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propan-1-one (CID 160552448) is 1-[(2S,4R)-1-(3-chloro-2-methylbenzoyl)-4-hydroxypyrrolidin-2-yl]-3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propan-1-one;1-[(2S,4R)-1-(2,6-dimethylbenzoyl)-4-hydroxypyrrolidin-2-yl]-3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propan-1-one;1-[(2S,4R)-4-hydroxy-1-(5-hydroxy-2-methylbenzoyl)pyrrolidin-2-yl]-3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propan-1-one;1-[(2S,4R)-4-hydroxy-1-(thiophene-2-carbonyl)pyrrolidin-2-yl]-3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propan-1-one;1-[(2S,4R)-4-hydroxy-1-(thiophene-3-carbonyl)pyrrolidin-2-yl]-3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propan-1-one.

What is the SMILES notation for 1-[(2S,4R)-1-(3-chloro-2-methylbenzoyl)-4-hydroxypyrrolidin-2-yl]-3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propan-1-one;1-[(2S,4R)-1-(2,6-dimethylbenzoyl)-4-hydroxypyrrolidin-2-yl]-3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propan-1-one;1-[(2S,4R)-4-hydroxy-1-(5-hydroxy-2-methylbenzoyl)pyrrolidin-2-yl]-3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propan-1-one;1-[(2S,4R)-4-hydroxy-1-(thiophene-2-carbonyl)pyrrolidin-2-yl]-3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propan-1-one;1-[(2S,4R)-4-hydroxy-1-(thiophene-3-carbonyl)pyrrolidin-2-yl]-3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propan-1-one?

The canonical SMILES for 1-[(2S,4R)-1-(3-chloro-2-methylbenzoyl)-4-hydroxypyrrolidin-2-yl]-3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propan-1-one;1-[(2S,4R)-1-(2,6-dimethylbenzoyl)-4-hydroxypyrrolidin-2-yl]-3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propan-1-one;1-[(2S,4R)-4-hydroxy-1-(5-hydroxy-2-methylbenzoyl)pyrrolidin-2-yl]-3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propan-1-one;1-[(2S,4R)-4-hydroxy-1-(thiophene-2-carbonyl)pyrrolidin-2-yl]-3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propan-1-one;1-[(2S,4R)-4-hydroxy-1-(thiophene-3-carbonyl)pyrrolidin-2-yl]-3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propan-1-one is Cc1ccc(O)cc1C(=O)N1C[C@H](O)C[C@H]1C(=O)CCc1ccc(-c2scnc2C)cc1.Cc1cccc(C)c1C(=O)N1C[C@H](O)C[C@H]1C(=O)CCc1ccc(-c2scnc2C)cc1.Cc1ncsc1-c1ccc(CCC(=O)[C@@H]2C[C@@H](O)CN2C(=O)c2cccc(Cl)c2C)cc1.Cc1ncsc1-c1ccc(CCC(=O)[C@@H]2C[C@@H](O)CN2C(=O)c2cccs2)cc1.Cc1ncsc1-c1ccc(CCC(=O)[C@@H]2C[C@@H](O)CN2C(=O)c2ccsc2)cc1.

What is the InChIKey of 1-[(2S,4R)-1-(3-chloro-2-methylbenzoyl)-4-hydroxypyrrolidin-2-yl]-3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propan-1-one;1-[(2S,4R)-1-(2,6-dimethylbenzoyl)-4-hydroxypyrrolidin-2-yl]-3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propan-1-one;1-[(2S,4R)-4-hydroxy-1-(5-hydroxy-2-methylbenzoyl)pyrrolidin-2-yl]-3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propan-1-one;1-[(2S,4R)-4-hydroxy-1-(thiophene-2-carbonyl)pyrrolidin-2-yl]-3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propan-1-one;1-[(2S,4R)-4-hydroxy-1-(thiophene-3-carbonyl)pyrrolidin-2-yl]-3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propan-1-one?

The InChIKey is QYGFQBJGVFXVKW-LNGJCCQPSA-N. The full InChI is InChI=1S/C26H28N2O3S.C25H25ClN2O3S.C25H26N2O4S.2C22H22N2O3S2/c1-16-5-4-6-17(2)24(16)26(31)28-14-21(29)13-22(28)23(30)12-9-19-7-10-20(11-8-19)25-18(3)27-15-32-25;1-15-20(4-3-5-21(15)26)25(31)28-13-19(29)12-22(28)23(30)11-8-17-6-9-18(10-7-17)24-16(2)27-14-32-24;1-15-3-9-19(28)11-21(15)25(31)27-13-20(29)12-22(27)23(30)10-6-17-4-7-18(8-5-17)24-16(2)26-14-32-24;1-14-21(29-13-23-14)16-5-2-15(3-6-16)4-7-20(26)19-10-18(25)11-24(19)22(27)17-8-9-28-12-17;1-14-21(29-13-23-14)16-7-4-15(5-8-16)6-9-19(26)18-11-17(25)12-24(18)22(27)20-3-2-10-28-20/h4-8,10-11,15,21-22,29H,9,12-14H2,1-3H3;3-7,9-10,14,19,22,29H,8,11-13H2,1-2H3;3-5,7-9,11,14,20,22,28-29H,6,10,12-13H2,1-2H3;2-3,5-6,8-9,12-13,18-19,25H,4,7,10-11H2,1H3;2-5,7-8,10,13,17-18,25H,6,9,11-12H2,1H3/t21-,22+;19-,22+;20-,22+;18-,19+;17-,18+/m11111/s1.

What are the key properties of 1-[(2S,4R)-1-(3-chloro-2-methylbenzoyl)-4-hydroxypyrrolidin-2-yl]-3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propan-1-one;1-[(2S,4R)-1-(2,6-dimethylbenzoyl)-4-hydroxypyrrolidin-2-yl]-3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propan-1-one;1-[(2S,4R)-4-hydroxy-1-(5-hydroxy-2-methylbenzoyl)pyrrolidin-2-yl]-3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propan-1-one;1-[(2S,4R)-4-hydroxy-1-(thiophene-2-carbonyl)pyrrolidin-2-yl]-3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propan-1-one;1-[(2S,4R)-4-hydroxy-1-(thiophene-3-carbonyl)pyrrolidin-2-yl]-3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propan-1-one?

1-[(2S,4R)-1-(3-chloro-2-methylbenzoyl)-4-hydroxypyrrolidin-2-yl]-3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propan-1-one;1-[(2S,4R)-1-(2,6-dimethylbenzoyl)-4-hydroxypyrrolidin-2-yl]-3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propan-1-one;1-[(2S,4R)-4-hydroxy-1-(5-hydroxy-2-methylbenzoyl)pyrrolidin-2-yl]-3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propan-1-one;1-[(2S,4R)-4-hydroxy-1-(thiophene-2-carbonyl)pyrrolidin-2-yl]-3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propan-1-one;1-[(2S,4R)-4-hydroxy-1-(thiophene-3-carbonyl)pyrrolidin-2-yl]-3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propan-1-one has a molecular weight of 2221.28 g/mol, XLogP of 21.19, 30 rotatable bonds, 6 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(2S,4R)-1-(3-chloro-2-methylbenzoyl)-4-hydroxypyrrolidin-2-yl]-3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propan-1-one;1-[(2S,4R)-1-(2,6-dimethylbenzoyl)-4-hydroxypyrrolidin-2-yl]-3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propan-1-one;1-[(2S,4R)-4-hydroxy-1-(5-hydroxy-2-methylbenzoyl)pyrrolidin-2-yl]-3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propan-1-one;1-[(2S,4R)-4-hydroxy-1-(thiophene-2-carbonyl)pyrrolidin-2-yl]-3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propan-1-one;1-[(2S,4R)-4-hydroxy-1-(thiophene-3-carbonyl)pyrrolidin-2-yl]-3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propan-1-one is sourced from PubChem (CID 160552448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).