(2R)-N-[(1S)-2-[(2S)-2-[4-(4-acetylnaphthalen-1-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]-2-methylbutanamide;2-amino-3-fluoro-N-[(1S)-2-[(2S)-2-[4-(4-methylnaphthalen-1-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]propanamide;(2S)-N-[(1S)-2-[(2S)-2-[4-(2-tert-butylquinolin-4-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-1-cyclohexyl-2-oxoethyl]-2-(methylamino)propanamide;(2S)-N-[(1S)-1-cyclohexyl-2-[(2S)-2-[4-(2-ethylquinolin-4-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-2-oxoethyl]-2-(methylamino)propanamide

C121H152FN17O11S4 — CID 157298628

About (2R)-N-[(1S)-2-[(2S)-2-[4-(4-acetylnaphthalen-1-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]-2-methylbutanamide;2-amino-3-fluoro-N-[(1S)-2-[(2S)-2-[4-(4-methylnaphthalen-1-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]propanamide;(2S)-N-[(1S)-2-[(2S)-2-[4-(2-tert-butylquinolin-4-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-1-cyclohexyl-2-oxoethyl]-2-(methylamino)propanamide;(2S)-N-[(1S)-1-cyclohexyl-2-[(2S)-2-[4-(2-ethylquinolin-4-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-2-oxoethyl]-2-(methylamino)propanamide

(2R)-N-[(1S)-2-[(2S)-2-[4-(4-acetylnaphthalen-1-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]-2-methylbutanamide;2-amino-3-fluoro-N-[(1S)-2-[(2S)-2-[4-(4-methylnaphthalen-1-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]propanamide;(2S)-N-[(1S)-2-[(2S)-2-[4-(2-tert-butylquinolin-4-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-1-cyclohexyl-2-oxoethyl]-2-(methylamino)propanamide;(2S)-N-[(1S)-1-cyclohexyl-2-[(2S)-2-[4-(2-ethylquinolin-4-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-2-oxoethyl]-2-(methylamino)propanamide (PubChem CID 157298628) has the molecular formula C121H152FN17O11S4 and a molecular weight of 2167.92 g/mol. Its IUPAC name is (2R)-N-[(1S)-2-[(2S)-2-[4-(4-acetylnaphthalen-1-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]-2-methylbutanamide;2-amino-3-fluoro-N-[(1S)-2-[(2S)-2-[4-(4-methylnaphthalen-1-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]propanamide;(2S)-N-[(1S)-2-[(2S)-2-[4-(2-tert-butylquinolin-4-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-1-cyclohexyl-2-oxoethyl]-2-(methylamino)propanamide;(2S)-N-[(1S)-1-cyclohexyl-2-[(2S)-2-[4-(2-ethylquinolin-4-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-2-oxoethyl]-2-(methylamino)propanamide.

Molecular Properties

• Compound Name: (2R)-N-[(1S)-2-[(2S)-2-[4-(4-acetylnaphthalen-1-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]-2-methylbutanamide;2-amino-3-fluoro-N-[(1S)-2-[(2S)-2-[4-(4-methylnaphthalen-1-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]propanamide;(2S)-N-[(1S)-2-[(2S)-2-[4-(2-tert-butylquinolin-4-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-1-cyclohexyl-2-oxoethyl]-2-(methylamino)propanamide;(2S)-N-[(1S)-1-cyclohexyl-2-[(2S)-2-[4-(2-ethylquinolin-4-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-2-oxoethyl]-2-(methylamino)propanamide
• PubChem CID: 157298628
• Molecular Formula: C121H152FN17O11S4
• Molecular Weight: 2167.92 g/mol
• Exact Mass: 2166.07
• IUPAC Name: (2R)-N-[(1S)-2-[(2S)-2-[4-(4-acetylnaphthalen-1-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]-2-methylbutanamide;2-amino-3-fluoro-N-[(1S)-2-[(2S)-2-[4-(4-methylnaphthalen-1-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]propanamide;(2S)-N-[(1S)-2-[(2S)-2-[4-(2-tert-butylquinolin-4-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-1-cyclohexyl-2-oxoethyl]-2-(methylamino)propanamide;(2S)-N-[(1S)-1-cyclohexyl-2-[(2S)-2-[4-(2-ethylquinolin-4-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-2-oxoethyl]-2-(methylamino)propanamide
• SMILES: CC[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1c1nc(-c2ccc(C(C)=O)c3ccccc23)cs1)C1CCOCC1.CCc1cc(-c2csc([C@@H]3CCCN3C(=O)[C@@H](NC(=O)[C@H](C)NC)C3CCCCC3)n2)c2ccccc2n1.CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1c1nc(-c2cc(C(C)(C)C)nc3ccccc23)cs1)C1CCCCC1.Cc1ccc(-c2csc([C@@H]3CCCN3C(=O)[C@@H](NC(=O)C(N)CF)C3CCOCC3)n2)c2ccccc12
• InChI: InChI=1S/C32H43N5O2S.C31H37N3O4S.C30H39N5O2S.C28H33FN4O3S/c1-20(33-5)29(38)36-28(21-12-7-6-8-13-21)31(39)37-17-11-16-26(37)30-35-25(19-40-30)23-18-27(32(2,3)4)34-24-15-10-9-14-22(23)24;1-4-19(2)29(36)33-28(21-13-16-38-17-14-21)31(37)34-15-7-10-27(34)30-32-26(18-39-30)25-12-11-22(20(3)35)23-8-5-6-9-24(23)25;1-4-21-17-23(22-13-8-9-14-24(22)32-21)25-18-38-29(33-25)26-15-10-16-35(26)30(37)27(20-11-6-5-7-12-20)34-28(36)19(2)31-3;1-17-8-9-21(20-6-3-2-5-19(17)20)23-16-37-27(31-23)24-7-4-12-33(24)28(35)25(18-10-13-36-14-11-18)32-26(34)22(30)15-29/h9-10,14-15,18-21,26,28,33H,6-8,11-13,16-17H2,1-5H3,(H,36,38);5-6,8-9,11-12,18-19,21,27-28H,4,7,10,13-17H2,1-3H3,(H,33,36);8-9,13-14,17-20,26-27,31H,4-7,10-12,15-16H2,1-3H3,(H,34,36);2-3,5-6,8-9,16,18,22,24-25H,4,7,10-15,30H2,1H3,(H,32,34)/t20-,26-,28-;19-,27+,28+;19-,26-,27-;22?,24-,25-/m0100/s1
• InChIKey: BBQCPRZHOGHOBG-VUHXWRNCSA-N
• XLogP: 21.18
• TPSA: 360.59 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 24
• Rotatable Bonds: 30
• Heavy Atoms: 154
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2167.92
LogP ≤ 5	21.18
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	24

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(1S)-2-[(2S)-2-[4-(4-acetylnaphthalen-1-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]-2-methylbutanamide;2-amino-3-fluoro-N-[(1S)-2-[(2S)-2-[4-(4-methylnaphthalen-1-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]propanamide;(2S)-N-[(1S)-2-[(2S)-2-[4-(2-tert-butylquinolin-4-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-1-cyclohexyl-2-oxoethyl]-2-(methylamino)propanamide;(2S)-N-[(1S)-1-cyclohexyl-2-[(2S)-2-[4-(2-ethylquinolin-4-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-2-oxoethyl]-2-(methylamino)propanamide?

The IUPAC name of (2R)-N-[(1S)-2-[(2S)-2-[4-(4-acetylnaphthalen-1-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]-2-methylbutanamide;2-amino-3-fluoro-N-[(1S)-2-[(2S)-2-[4-(4-methylnaphthalen-1-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]propanamide;(2S)-N-[(1S)-2-[(2S)-2-[4-(2-tert-butylquinolin-4-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-1-cyclohexyl-2-oxoethyl]-2-(methylamino)propanamide;(2S)-N-[(1S)-1-cyclohexyl-2-[(2S)-2-[4-(2-ethylquinolin-4-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-2-oxoethyl]-2-(methylamino)propanamide (CID 157298628) is (2R)-N-[(1S)-2-[(2S)-2-[4-(4-acetylnaphthalen-1-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]-2-methylbutanamide;2-amino-3-fluoro-N-[(1S)-2-[(2S)-2-[4-(4-methylnaphthalen-1-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]propanamide;(2S)-N-[(1S)-2-[(2S)-2-[4-(2-tert-butylquinolin-4-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-1-cyclohexyl-2-oxoethyl]-2-(methylamino)propanamide;(2S)-N-[(1S)-1-cyclohexyl-2-[(2S)-2-[4-(2-ethylquinolin-4-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-2-oxoethyl]-2-(methylamino)propanamide.

What is the SMILES notation for (2R)-N-[(1S)-2-[(2S)-2-[4-(4-acetylnaphthalen-1-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]-2-methylbutanamide;2-amino-3-fluoro-N-[(1S)-2-[(2S)-2-[4-(4-methylnaphthalen-1-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]propanamide;(2S)-N-[(1S)-2-[(2S)-2-[4-(2-tert-butylquinolin-4-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-1-cyclohexyl-2-oxoethyl]-2-(methylamino)propanamide;(2S)-N-[(1S)-1-cyclohexyl-2-[(2S)-2-[4-(2-ethylquinolin-4-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-2-oxoethyl]-2-(methylamino)propanamide?

The canonical SMILES for (2R)-N-[(1S)-2-[(2S)-2-[4-(4-acetylnaphthalen-1-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]-2-methylbutanamide;2-amino-3-fluoro-N-[(1S)-2-[(2S)-2-[4-(4-methylnaphthalen-1-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]propanamide;(2S)-N-[(1S)-2-[(2S)-2-[4-(2-tert-butylquinolin-4-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-1-cyclohexyl-2-oxoethyl]-2-(methylamino)propanamide;(2S)-N-[(1S)-1-cyclohexyl-2-[(2S)-2-[4-(2-ethylquinolin-4-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-2-oxoethyl]-2-(methylamino)propanamide is CC[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1c1nc(-c2ccc(C(C)=O)c3ccccc23)cs1)C1CCOCC1.CCc1cc(-c2csc([C@@H]3CCCN3C(=O)[C@@H](NC(=O)[C@H](C)NC)C3CCCCC3)n2)c2ccccc2n1.CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1c1nc(-c2cc(C(C)(C)C)nc3ccccc23)cs1)C1CCCCC1.Cc1ccc(-c2csc([C@@H]3CCCN3C(=O)[C@@H](NC(=O)C(N)CF)C3CCOCC3)n2)c2ccccc12.

What is the InChIKey of (2R)-N-[(1S)-2-[(2S)-2-[4-(4-acetylnaphthalen-1-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]-2-methylbutanamide;2-amino-3-fluoro-N-[(1S)-2-[(2S)-2-[4-(4-methylnaphthalen-1-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]propanamide;(2S)-N-[(1S)-2-[(2S)-2-[4-(2-tert-butylquinolin-4-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-1-cyclohexyl-2-oxoethyl]-2-(methylamino)propanamide;(2S)-N-[(1S)-1-cyclohexyl-2-[(2S)-2-[4-(2-ethylquinolin-4-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-2-oxoethyl]-2-(methylamino)propanamide?

The InChIKey is BBQCPRZHOGHOBG-VUHXWRNCSA-N. The full InChI is InChI=1S/C32H43N5O2S.C31H37N3O4S.C30H39N5O2S.C28H33FN4O3S/c1-20(33-5)29(38)36-28(21-12-7-6-8-13-21)31(39)37-17-11-16-26(37)30-35-25(19-40-30)23-18-27(32(2,3)4)34-24-15-10-9-14-22(23)24;1-4-19(2)29(36)33-28(21-13-16-38-17-14-21)31(37)34-15-7-10-27(34)30-32-26(18-39-30)25-12-11-22(20(3)35)23-8-5-6-9-24(23)25;1-4-21-17-23(22-13-8-9-14-24(22)32-21)25-18-38-29(33-25)26-15-10-16-35(26)30(37)27(20-11-6-5-7-12-20)34-28(36)19(2)31-3;1-17-8-9-21(20-6-3-2-5-19(17)20)23-16-37-27(31-23)24-7-4-12-33(24)28(35)25(18-10-13-36-14-11-18)32-26(34)22(30)15-29/h9-10,14-15,18-21,26,28,33H,6-8,11-13,16-17H2,1-5H3,(H,36,38);5-6,8-9,11-12,18-19,21,27-28H,4,7,10,13-17H2,1-3H3,(H,33,36);8-9,13-14,17-20,26-27,31H,4-7,10-12,15-16H2,1-3H3,(H,34,36);2-3,5-6,8-9,16,18,22,24-25H,4,7,10-15,30H2,1H3,(H,32,34)/t20-,26-,28-;19-,27+,28+;19-,26-,27-;22?,24-,25-/m0100/s1.

What are the key properties of (2R)-N-[(1S)-2-[(2S)-2-[4-(4-acetylnaphthalen-1-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]-2-methylbutanamide;2-amino-3-fluoro-N-[(1S)-2-[(2S)-2-[4-(4-methylnaphthalen-1-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]propanamide;(2S)-N-[(1S)-2-[(2S)-2-[4-(2-tert-butylquinolin-4-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-1-cyclohexyl-2-oxoethyl]-2-(methylamino)propanamide;(2S)-N-[(1S)-1-cyclohexyl-2-[(2S)-2-[4-(2-ethylquinolin-4-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-2-oxoethyl]-2-(methylamino)propanamide?

(2R)-N-[(1S)-2-[(2S)-2-[4-(4-acetylnaphthalen-1-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]-2-methylbutanamide;2-amino-3-fluoro-N-[(1S)-2-[(2S)-2-[4-(4-methylnaphthalen-1-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]propanamide;(2S)-N-[(1S)-2-[(2S)-2-[4-(2-tert-butylquinolin-4-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-1-cyclohexyl-2-oxoethyl]-2-(methylamino)propanamide;(2S)-N-[(1S)-1-cyclohexyl-2-[(2S)-2-[4-(2-ethylquinolin-4-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-2-oxoethyl]-2-(methylamino)propanamide has a molecular weight of 2167.92 g/mol, XLogP of 21.18, 30 rotatable bonds, 7 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-N-[(1S)-2-[(2S)-2-[4-(4-acetylnaphthalen-1-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]-2-methylbutanamide;2-amino-3-fluoro-N-[(1S)-2-[(2S)-2-[4-(4-methylnaphthalen-1-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]propanamide;(2S)-N-[(1S)-2-[(2S)-2-[4-(2-tert-butylquinolin-4-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-1-cyclohexyl-2-oxoethyl]-2-(methylamino)propanamide;(2S)-N-[(1S)-1-cyclohexyl-2-[(2S)-2-[4-(2-ethylquinolin-4-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-2-oxoethyl]-2-(methylamino)propanamide is sourced from PubChem (CID 157298628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).