(2R)-N-[(1S)-2-[(2S)-2-[4-(3-chloronaphthalen-1-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]-2-methylbutanamide;(2S)-N-[(1S)-1-(1,1-dioxothian-4-yl)-2-[(2S)-2-(4-naphthalen-1-yl-1,3-thiazol-2-yl)pyrrolidin-1-yl]-2-oxoethyl]-2-(methylamino)propanamide;(2R)-2-methyl-N-[(1S)-2-[(2S)-2-[4-(7-methylquinolin-4-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]butanamide;(2R)-2-methyl-N-[(1S)-1-(oxan-4-yl)-2-oxo-2-[(2S)-2-[4-(2-oxo-1H-quinolin-4-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]ethyl]butanamide

C114H138ClN15O14S5 — CID 158758498

About (2R)-N-[(1S)-2-[(2S)-2-[4-(3-chloronaphthalen-1-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]-2-methylbutanamide;(2S)-N-[(1S)-1-(1,1-dioxothian-4-yl)-2-[(2S)-2-(4-naphthalen-1-yl-1,3-thiazol-2-yl)pyrrolidin-1-yl]-2-oxoethyl]-2-(methylamino)propanamide;(2R)-2-methyl-N-[(1S)-2-[(2S)-2-[4-(7-methylquinolin-4-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]butanamide;(2R)-2-methyl-N-[(1S)-1-(oxan-4-yl)-2-oxo-2-[(2S)-2-[4-(2-oxo-1H-quinolin-4-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]ethyl]butanamide

(2R)-N-[(1S)-2-[(2S)-2-[4-(3-chloronaphthalen-1-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]-2-methylbutanamide;(2S)-N-[(1S)-1-(1,1-dioxothian-4-yl)-2-[(2S)-2-(4-naphthalen-1-yl-1,3-thiazol-2-yl)pyrrolidin-1-yl]-2-oxoethyl]-2-(methylamino)propanamide;(2R)-2-methyl-N-[(1S)-2-[(2S)-2-[4-(7-methylquinolin-4-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]butanamide;(2R)-2-methyl-N-[(1S)-1-(oxan-4-yl)-2-oxo-2-[(2S)-2-[4-(2-oxo-1H-quinolin-4-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]ethyl]butanamide (PubChem CID 158758498) has the molecular formula C114H138ClN15O14S5 and a molecular weight of 2138.24 g/mol. Its IUPAC name is (2R)-N-[(1S)-2-[(2S)-2-[4-(3-chloronaphthalen-1-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]-2-methylbutanamide;(2S)-N-[(1S)-1-(1,1-dioxothian-4-yl)-2-[(2S)-2-(4-naphthalen-1-yl-1,3-thiazol-2-yl)pyrrolidin-1-yl]-2-oxoethyl]-2-(methylamino)propanamide;(2R)-2-methyl-N-[(1S)-2-[(2S)-2-[4-(7-methylquinolin-4-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]butanamide;(2R)-2-methyl-N-[(1S)-1-(oxan-4-yl)-2-oxo-2-[(2S)-2-[4-(2-oxo-1H-quinolin-4-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]ethyl]butanamide.

Molecular Properties

• Compound Name: (2R)-N-[(1S)-2-[(2S)-2-[4-(3-chloronaphthalen-1-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]-2-methylbutanamide;(2S)-N-[(1S)-1-(1,1-dioxothian-4-yl)-2-[(2S)-2-(4-naphthalen-1-yl-1,3-thiazol-2-yl)pyrrolidin-1-yl]-2-oxoethyl]-2-(methylamino)propanamide;(2R)-2-methyl-N-[(1S)-2-[(2S)-2-[4-(7-methylquinolin-4-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]butanamide;(2R)-2-methyl-N-[(1S)-1-(oxan-4-yl)-2-oxo-2-[(2S)-2-[4-(2-oxo-1H-quinolin-4-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]ethyl]butanamide
• PubChem CID: 158758498
• Molecular Formula: C114H138ClN15O14S5
• Molecular Weight: 2138.24 g/mol
• Exact Mass: 2135.88
• IUPAC Name: (2R)-N-[(1S)-2-[(2S)-2-[4-(3-chloronaphthalen-1-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]-2-methylbutanamide;(2S)-N-[(1S)-1-(1,1-dioxothian-4-yl)-2-[(2S)-2-(4-naphthalen-1-yl-1,3-thiazol-2-yl)pyrrolidin-1-yl]-2-oxoethyl]-2-(methylamino)propanamide;(2R)-2-methyl-N-[(1S)-2-[(2S)-2-[4-(7-methylquinolin-4-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]butanamide;(2R)-2-methyl-N-[(1S)-1-(oxan-4-yl)-2-oxo-2-[(2S)-2-[4-(2-oxo-1H-quinolin-4-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]ethyl]butanamide
• SMILES: CC[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1c1nc(-c2cc(=O)[nH]c3ccccc23)cs1)C1CCOCC1.CC[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1c1nc(-c2cc(Cl)cc3ccccc23)cs1)C1CCOCC1.CC[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1c1nc(-c2ccnc3cc(C)ccc23)cs1)C1CCOCC1.CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1c1nc(-c2cccc3ccccc23)cs1)C1CCS(=O)(=O)CC1
• InChI: InChI=1S/C29H34ClN3O3S.C29H36N4O3S.C28H34N4O4S2.C28H34N4O4S/c1-3-18(2)27(34)32-26(19-10-13-36-14-11-19)29(35)33-12-6-9-25(33)28-31-24(17-37-28)23-16-21(30)15-20-7-4-5-8-22(20)23;1-4-19(3)27(34)32-26(20-10-14-36-15-11-20)29(35)33-13-5-6-25(33)28-31-24(17-37-28)22-9-12-30-23-16-18(2)7-8-21(22)23;1-18(29-2)26(33)31-25(20-12-15-38(35,36)16-13-20)28(34)32-14-6-11-24(32)27-30-23(17-37-27)22-10-5-8-19-7-3-4-9-21(19)22;1-3-17(2)26(34)31-25(18-10-13-36-14-11-18)28(35)32-12-6-9-23(32)27-30-22(16-37-27)20-15-24(33)29-21-8-5-4-7-19(20)21/h4-5,7-8,15-19,25-26H,3,6,9-14H2,1-2H3,(H,32,34);7-9,12,16-17,19-20,25-26H,4-6,10-11,13-15H2,1-3H3,(H,32,34);3-5,7-10,17-18,20,24-25,29H,6,11-16H2,1-2H3,(H,31,33);4-5,7-8,15-18,23,25H,3,6,9-14H2,1-2H3,(H,29,33)(H,31,34)/t18-,25+,26+;19-,25+,26+;18-,24-,25-;17-,23+,25+/m1101/s1
• InChIKey: IOJHPLUZWOETBS-YGKSRYOLSA-N
• XLogP: 19.34
• TPSA: 368.81 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 24
• Rotatable Bonds: 28
• Heavy Atoms: 149
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2138.24
LogP ≤ 5	19.34
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	24

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(1S)-2-[(2S)-2-[4-(3-chloronaphthalen-1-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]-2-methylbutanamide;(2S)-N-[(1S)-1-(1,1-dioxothian-4-yl)-2-[(2S)-2-(4-naphthalen-1-yl-1,3-thiazol-2-yl)pyrrolidin-1-yl]-2-oxoethyl]-2-(methylamino)propanamide;(2R)-2-methyl-N-[(1S)-2-[(2S)-2-[4-(7-methylquinolin-4-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]butanamide;(2R)-2-methyl-N-[(1S)-1-(oxan-4-yl)-2-oxo-2-[(2S)-2-[4-(2-oxo-1H-quinolin-4-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]ethyl]butanamide?

The IUPAC name of (2R)-N-[(1S)-2-[(2S)-2-[4-(3-chloronaphthalen-1-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]-2-methylbutanamide;(2S)-N-[(1S)-1-(1,1-dioxothian-4-yl)-2-[(2S)-2-(4-naphthalen-1-yl-1,3-thiazol-2-yl)pyrrolidin-1-yl]-2-oxoethyl]-2-(methylamino)propanamide;(2R)-2-methyl-N-[(1S)-2-[(2S)-2-[4-(7-methylquinolin-4-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]butanamide;(2R)-2-methyl-N-[(1S)-1-(oxan-4-yl)-2-oxo-2-[(2S)-2-[4-(2-oxo-1H-quinolin-4-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]ethyl]butanamide (CID 158758498) is (2R)-N-[(1S)-2-[(2S)-2-[4-(3-chloronaphthalen-1-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]-2-methylbutanamide;(2S)-N-[(1S)-1-(1,1-dioxothian-4-yl)-2-[(2S)-2-(4-naphthalen-1-yl-1,3-thiazol-2-yl)pyrrolidin-1-yl]-2-oxoethyl]-2-(methylamino)propanamide;(2R)-2-methyl-N-[(1S)-2-[(2S)-2-[4-(7-methylquinolin-4-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]butanamide;(2R)-2-methyl-N-[(1S)-1-(oxan-4-yl)-2-oxo-2-[(2S)-2-[4-(2-oxo-1H-quinolin-4-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]ethyl]butanamide.

What is the SMILES notation for (2R)-N-[(1S)-2-[(2S)-2-[4-(3-chloronaphthalen-1-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]-2-methylbutanamide;(2S)-N-[(1S)-1-(1,1-dioxothian-4-yl)-2-[(2S)-2-(4-naphthalen-1-yl-1,3-thiazol-2-yl)pyrrolidin-1-yl]-2-oxoethyl]-2-(methylamino)propanamide;(2R)-2-methyl-N-[(1S)-2-[(2S)-2-[4-(7-methylquinolin-4-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]butanamide;(2R)-2-methyl-N-[(1S)-1-(oxan-4-yl)-2-oxo-2-[(2S)-2-[4-(2-oxo-1H-quinolin-4-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]ethyl]butanamide?

The canonical SMILES for (2R)-N-[(1S)-2-[(2S)-2-[4-(3-chloronaphthalen-1-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]-2-methylbutanamide;(2S)-N-[(1S)-1-(1,1-dioxothian-4-yl)-2-[(2S)-2-(4-naphthalen-1-yl-1,3-thiazol-2-yl)pyrrolidin-1-yl]-2-oxoethyl]-2-(methylamino)propanamide;(2R)-2-methyl-N-[(1S)-2-[(2S)-2-[4-(7-methylquinolin-4-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]butanamide;(2R)-2-methyl-N-[(1S)-1-(oxan-4-yl)-2-oxo-2-[(2S)-2-[4-(2-oxo-1H-quinolin-4-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]ethyl]butanamide is CC[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1c1nc(-c2cc(=O)[nH]c3ccccc23)cs1)C1CCOCC1.CC[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1c1nc(-c2cc(Cl)cc3ccccc23)cs1)C1CCOCC1.CC[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1c1nc(-c2ccnc3cc(C)ccc23)cs1)C1CCOCC1.CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1c1nc(-c2cccc3ccccc23)cs1)C1CCS(=O)(=O)CC1.

What is the InChIKey of (2R)-N-[(1S)-2-[(2S)-2-[4-(3-chloronaphthalen-1-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]-2-methylbutanamide;(2S)-N-[(1S)-1-(1,1-dioxothian-4-yl)-2-[(2S)-2-(4-naphthalen-1-yl-1,3-thiazol-2-yl)pyrrolidin-1-yl]-2-oxoethyl]-2-(methylamino)propanamide;(2R)-2-methyl-N-[(1S)-2-[(2S)-2-[4-(7-methylquinolin-4-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]butanamide;(2R)-2-methyl-N-[(1S)-1-(oxan-4-yl)-2-oxo-2-[(2S)-2-[4-(2-oxo-1H-quinolin-4-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]ethyl]butanamide?

The InChIKey is IOJHPLUZWOETBS-YGKSRYOLSA-N. The full InChI is InChI=1S/C29H34ClN3O3S.C29H36N4O3S.C28H34N4O4S2.C28H34N4O4S/c1-3-18(2)27(34)32-26(19-10-13-36-14-11-19)29(35)33-12-6-9-25(33)28-31-24(17-37-28)23-16-21(30)15-20-7-4-5-8-22(20)23;1-4-19(3)27(34)32-26(20-10-14-36-15-11-20)29(35)33-13-5-6-25(33)28-31-24(17-37-28)22-9-12-30-23-16-18(2)7-8-21(22)23;1-18(29-2)26(33)31-25(20-12-15-38(35,36)16-13-20)28(34)32-14-6-11-24(32)27-30-23(17-37-27)22-10-5-8-19-7-3-4-9-21(19)22;1-3-17(2)26(34)31-25(18-10-13-36-14-11-18)28(35)32-12-6-9-23(32)27-30-22(16-37-27)20-15-24(33)29-21-8-5-4-7-19(20)21/h4-5,7-8,15-19,25-26H,3,6,9-14H2,1-2H3,(H,32,34);7-9,12,16-17,19-20,25-26H,4-6,10-11,13-15H2,1-3H3,(H,32,34);3-5,7-10,17-18,20,24-25,29H,6,11-16H2,1-2H3,(H,31,33);4-5,7-8,15-18,23,25H,3,6,9-14H2,1-2H3,(H,29,33)(H,31,34)/t18-,25+,26+;19-,25+,26+;18-,24-,25-;17-,23+,25+/m1101/s1.

What are the key properties of (2R)-N-[(1S)-2-[(2S)-2-[4-(3-chloronaphthalen-1-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]-2-methylbutanamide;(2S)-N-[(1S)-1-(1,1-dioxothian-4-yl)-2-[(2S)-2-(4-naphthalen-1-yl-1,3-thiazol-2-yl)pyrrolidin-1-yl]-2-oxoethyl]-2-(methylamino)propanamide;(2R)-2-methyl-N-[(1S)-2-[(2S)-2-[4-(7-methylquinolin-4-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]butanamide;(2R)-2-methyl-N-[(1S)-1-(oxan-4-yl)-2-oxo-2-[(2S)-2-[4-(2-oxo-1H-quinolin-4-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]ethyl]butanamide?

(2R)-N-[(1S)-2-[(2S)-2-[4-(3-chloronaphthalen-1-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]-2-methylbutanamide;(2S)-N-[(1S)-1-(1,1-dioxothian-4-yl)-2-[(2S)-2-(4-naphthalen-1-yl-1,3-thiazol-2-yl)pyrrolidin-1-yl]-2-oxoethyl]-2-(methylamino)propanamide;(2R)-2-methyl-N-[(1S)-2-[(2S)-2-[4-(7-methylquinolin-4-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]butanamide;(2R)-2-methyl-N-[(1S)-1-(oxan-4-yl)-2-oxo-2-[(2S)-2-[4-(2-oxo-1H-quinolin-4-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]ethyl]butanamide has a molecular weight of 2138.24 g/mol, XLogP of 19.34, 28 rotatable bonds, 6 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-N-[(1S)-2-[(2S)-2-[4-(3-chloronaphthalen-1-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]-2-methylbutanamide;(2S)-N-[(1S)-1-(1,1-dioxothian-4-yl)-2-[(2S)-2-(4-naphthalen-1-yl-1,3-thiazol-2-yl)pyrrolidin-1-yl]-2-oxoethyl]-2-(methylamino)propanamide;(2R)-2-methyl-N-[(1S)-2-[(2S)-2-[4-(7-methylquinolin-4-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]butanamide;(2R)-2-methyl-N-[(1S)-1-(oxan-4-yl)-2-oxo-2-[(2S)-2-[4-(2-oxo-1H-quinolin-4-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]ethyl]butanamide is sourced from PubChem (CID 158758498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).