(2S)-1-[(2S)-2-cyclohexyl-2-[(5-hydroxy-2-methylpentanoyl)amino]acetyl]-N-(4-phenylthiadiazol-5-yl)pyrrolidine-2-carboxamide;(2S)-1-[(2S)-2-cyclohexyl-2-[[(2R)-2-methylbutanoyl]amino]acetyl]-N-[2-(2-fluorophenyl)pyrazol-3-yl]pyrrolidine-2-carboxamide;(2S)-N-[(2S,3S)-1-[(2S)-2-[4-(4-fluoronaphthalen-1-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxopentan-2-yl]-2-(methylamino)propanamide;(2S)-1-[(2S)-2-[[(2R)-2-methylbutanoyl]amino]-2-thiophen-3-ylacetyl]-N-(4-phenylthiadiazol-5-yl)pyrrolidine-2-carboxamide;(2S)-1-[(2S)-3-methyl-2-[[(2R)-2-methylbutanoyl]amino]butanoyl]-N-(4-phenylthiadiazol-5-yl)pyrrolidine-2-carboxamide

C128H164F2N24O15S5 — CID 157400000

About (2S)-1-[(2S)-2-cyclohexyl-2-[(5-hydroxy-2-methylpentanoyl)amino]acetyl]-N-(4-phenylthiadiazol-5-yl)pyrrolidine-2-carboxamide;(2S)-1-[(2S)-2-cyclohexyl-2-[[(2R)-2-methylbutanoyl]amino]acetyl]-N-[2-(2-fluorophenyl)pyrazol-3-yl]pyrrolidine-2-carboxamide;(2S)-N-[(2S,3S)-1-[(2S)-2-[4-(4-fluoronaphthalen-1-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxopentan-2-yl]-2-(methylamino)propanamide;(2S)-1-[(2S)-2-[[(2R)-2-methylbutanoyl]amino]-2-thiophen-3-ylacetyl]-N-(4-phenylthiadiazol-5-yl)pyrrolidine-2-carboxamide;(2S)-1-[(2S)-3-methyl-2-[[(2R)-2-methylbutanoyl]amino]butanoyl]-N-(4-phenylthiadiazol-5-yl)pyrrolidine-2-carboxamide

(2S)-1-[(2S)-2-cyclohexyl-2-[(5-hydroxy-2-methylpentanoyl)amino]acetyl]-N-(4-phenylthiadiazol-5-yl)pyrrolidine-2-carboxamide;(2S)-1-[(2S)-2-cyclohexyl-2-[[(2R)-2-methylbutanoyl]amino]acetyl]-N-[2-(2-fluorophenyl)pyrazol-3-yl]pyrrolidine-2-carboxamide;(2S)-N-[(2S,3S)-1-[(2S)-2-[4-(4-fluoronaphthalen-1-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxopentan-2-yl]-2-(methylamino)propanamide;(2S)-1-[(2S)-2-[[(2R)-2-methylbutanoyl]amino]-2-thiophen-3-ylacetyl]-N-(4-phenylthiadiazol-5-yl)pyrrolidine-2-carboxamide;(2S)-1-[(2S)-3-methyl-2-[[(2R)-2-methylbutanoyl]amino]butanoyl]-N-(4-phenylthiadiazol-5-yl)pyrrolidine-2-carboxamide (PubChem CID 157400000) has the molecular formula C128H164F2N24O15S5 and a molecular weight of 2477.20 g/mol. Its IUPAC name is (2S)-1-[(2S)-2-cyclohexyl-2-[(5-hydroxy-2-methylpentanoyl)amino]acetyl]-N-(4-phenylthiadiazol-5-yl)pyrrolidine-2-carboxamide;(2S)-1-[(2S)-2-cyclohexyl-2-[[(2R)-2-methylbutanoyl]amino]acetyl]-N-[2-(2-fluorophenyl)pyrazol-3-yl]pyrrolidine-2-carboxamide;(2S)-N-[(2S,3S)-1-[(2S)-2-[4-(4-fluoronaphthalen-1-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxopentan-2-yl]-2-(methylamino)propanamide;(2S)-1-[(2S)-2-[[(2R)-2-methylbutanoyl]amino]-2-thiophen-3-ylacetyl]-N-(4-phenylthiadiazol-5-yl)pyrrolidine-2-carboxamide;(2S)-1-[(2S)-3-methyl-2-[[(2R)-2-methylbutanoyl]amino]butanoyl]-N-(4-phenylthiadiazol-5-yl)pyrrolidine-2-carboxamide.

Molecular Properties

• Compound Name: (2S)-1-[(2S)-2-cyclohexyl-2-[(5-hydroxy-2-methylpentanoyl)amino]acetyl]-N-(4-phenylthiadiazol-5-yl)pyrrolidine-2-carboxamide;(2S)-1-[(2S)-2-cyclohexyl-2-[[(2R)-2-methylbutanoyl]amino]acetyl]-N-[2-(2-fluorophenyl)pyrazol-3-yl]pyrrolidine-2-carboxamide;(2S)-N-[(2S,3S)-1-[(2S)-2-[4-(4-fluoronaphthalen-1-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxopentan-2-yl]-2-(methylamino)propanamide;(2S)-1-[(2S)-2-[[(2R)-2-methylbutanoyl]amino]-2-thiophen-3-ylacetyl]-N-(4-phenylthiadiazol-5-yl)pyrrolidine-2-carboxamide;(2S)-1-[(2S)-3-methyl-2-[[(2R)-2-methylbutanoyl]amino]butanoyl]-N-(4-phenylthiadiazol-5-yl)pyrrolidine-2-carboxamide
• PubChem CID: 157400000
• Molecular Formula: C128H164F2N24O15S5
• Molecular Weight: 2477.20 g/mol
• Exact Mass: 2475.14
• IUPAC Name: (2S)-1-[(2S)-2-cyclohexyl-2-[(5-hydroxy-2-methylpentanoyl)amino]acetyl]-N-(4-phenylthiadiazol-5-yl)pyrrolidine-2-carboxamide;(2S)-1-[(2S)-2-cyclohexyl-2-[[(2R)-2-methylbutanoyl]amino]acetyl]-N-[2-(2-fluorophenyl)pyrazol-3-yl]pyrrolidine-2-carboxamide;(2S)-N-[(2S,3S)-1-[(2S)-2-[4-(4-fluoronaphthalen-1-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxopentan-2-yl]-2-(methylamino)propanamide;(2S)-1-[(2S)-2-[[(2R)-2-methylbutanoyl]amino]-2-thiophen-3-ylacetyl]-N-(4-phenylthiadiazol-5-yl)pyrrolidine-2-carboxamide;(2S)-1-[(2S)-3-methyl-2-[[(2R)-2-methylbutanoyl]amino]butanoyl]-N-(4-phenylthiadiazol-5-yl)pyrrolidine-2-carboxamide
• SMILES: CC(CCCO)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)Nc1snnc1-c1ccccc1)C1CCCCC1.CC[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)Nc1ccnn1-c1ccccc1F)C1CCCCC1.CC[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)Nc1snnc1-c1ccccc1)C(C)C.CC[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)Nc1snnc1-c1ccccc1)c1ccsc1.CC[C@H](C)[C@H](NC(=O)[C@H](C)NC)C(=O)N1CCC[C@H]1c1nc(-c2ccc(F)c3ccccc23)cs1
• InChI: InChI=1S/C27H36FN5O3.C27H33FN4O2S.C27H37N5O4S.C24H27N5O3S2.C23H31N5O3S/c1-3-18(2)25(34)31-24(19-10-5-4-6-11-19)27(36)32-17-9-14-22(32)26(35)30-23-15-16-29-33(23)21-13-8-7-12-20(21)28;1-5-16(2)24(31-25(33)17(3)29-4)27(34)32-14-8-11-23(32)26-30-22(15-35-26)20-12-13-21(28)19-10-7-6-9-18(19)20;1-18(10-9-17-33)24(34)28-23(20-13-6-3-7-14-20)27(36)32-16-8-15-21(32)25(35)29-26-22(30-31-37-26)19-11-4-2-5-12-19;1-3-15(2)21(30)25-20(17-11-13-33-14-17)24(32)29-12-7-10-18(29)22(31)26-23-19(27-28-34-23)16-8-5-4-6-9-16;1-5-15(4)20(29)24-18(14(2)3)23(31)28-13-9-12-17(28)21(30)25-22-19(26-27-32-22)16-10-7-6-8-11-16/h7-8,12-13,15-16,18-19,22,24H,3-6,9-11,14,17H2,1-2H3,(H,30,35)(H,31,34);6-7,9-10,12-13,15-17,23-24,29H,5,8,11,14H2,1-4H3,(H,31,33);2,4-5,11-12,18,20-21,23,33H,3,6-10,13-17H2,1H3,(H,28,34)(H,29,35);4-6,8-9,11,13-15,18,20H,3,7,10,12H2,1-2H3,(H,25,30)(H,26,31);6-8,10-11,14-15,17-18H,5,9,12-13H2,1-4H3,(H,24,29)(H,25,30)/t18-,22+,24+;16-,17-,23-,24-;18?,21-,23-;15-,18+,20+;15-,17+,18+/m10011/s1
• InChIKey: BNAPRHUHLASLOS-WWMDTFQCSA-N
• XLogP: 19.99
• TPSA: 503.76 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 30
• Rotatable Bonds: 42
• Heavy Atoms: 174
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2477.20
LogP ≤ 5	19.99
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	30

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[(2S)-2-cyclohexyl-2-[(5-hydroxy-2-methylpentanoyl)amino]acetyl]-N-(4-phenylthiadiazol-5-yl)pyrrolidine-2-carboxamide;(2S)-1-[(2S)-2-cyclohexyl-2-[[(2R)-2-methylbutanoyl]amino]acetyl]-N-[2-(2-fluorophenyl)pyrazol-3-yl]pyrrolidine-2-carboxamide;(2S)-N-[(2S,3S)-1-[(2S)-2-[4-(4-fluoronaphthalen-1-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxopentan-2-yl]-2-(methylamino)propanamide;(2S)-1-[(2S)-2-[[(2R)-2-methylbutanoyl]amino]-2-thiophen-3-ylacetyl]-N-(4-phenylthiadiazol-5-yl)pyrrolidine-2-carboxamide;(2S)-1-[(2S)-3-methyl-2-[[(2R)-2-methylbutanoyl]amino]butanoyl]-N-(4-phenylthiadiazol-5-yl)pyrrolidine-2-carboxamide?

The IUPAC name of (2S)-1-[(2S)-2-cyclohexyl-2-[(5-hydroxy-2-methylpentanoyl)amino]acetyl]-N-(4-phenylthiadiazol-5-yl)pyrrolidine-2-carboxamide;(2S)-1-[(2S)-2-cyclohexyl-2-[[(2R)-2-methylbutanoyl]amino]acetyl]-N-[2-(2-fluorophenyl)pyrazol-3-yl]pyrrolidine-2-carboxamide;(2S)-N-[(2S,3S)-1-[(2S)-2-[4-(4-fluoronaphthalen-1-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxopentan-2-yl]-2-(methylamino)propanamide;(2S)-1-[(2S)-2-[[(2R)-2-methylbutanoyl]amino]-2-thiophen-3-ylacetyl]-N-(4-phenylthiadiazol-5-yl)pyrrolidine-2-carboxamide;(2S)-1-[(2S)-3-methyl-2-[[(2R)-2-methylbutanoyl]amino]butanoyl]-N-(4-phenylthiadiazol-5-yl)pyrrolidine-2-carboxamide (CID 157400000) is (2S)-1-[(2S)-2-cyclohexyl-2-[(5-hydroxy-2-methylpentanoyl)amino]acetyl]-N-(4-phenylthiadiazol-5-yl)pyrrolidine-2-carboxamide;(2S)-1-[(2S)-2-cyclohexyl-2-[[(2R)-2-methylbutanoyl]amino]acetyl]-N-[2-(2-fluorophenyl)pyrazol-3-yl]pyrrolidine-2-carboxamide;(2S)-N-[(2S,3S)-1-[(2S)-2-[4-(4-fluoronaphthalen-1-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxopentan-2-yl]-2-(methylamino)propanamide;(2S)-1-[(2S)-2-[[(2R)-2-methylbutanoyl]amino]-2-thiophen-3-ylacetyl]-N-(4-phenylthiadiazol-5-yl)pyrrolidine-2-carboxamide;(2S)-1-[(2S)-3-methyl-2-[[(2R)-2-methylbutanoyl]amino]butanoyl]-N-(4-phenylthiadiazol-5-yl)pyrrolidine-2-carboxamide.

What is the SMILES notation for (2S)-1-[(2S)-2-cyclohexyl-2-[(5-hydroxy-2-methylpentanoyl)amino]acetyl]-N-(4-phenylthiadiazol-5-yl)pyrrolidine-2-carboxamide;(2S)-1-[(2S)-2-cyclohexyl-2-[[(2R)-2-methylbutanoyl]amino]acetyl]-N-[2-(2-fluorophenyl)pyrazol-3-yl]pyrrolidine-2-carboxamide;(2S)-N-[(2S,3S)-1-[(2S)-2-[4-(4-fluoronaphthalen-1-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxopentan-2-yl]-2-(methylamino)propanamide;(2S)-1-[(2S)-2-[[(2R)-2-methylbutanoyl]amino]-2-thiophen-3-ylacetyl]-N-(4-phenylthiadiazol-5-yl)pyrrolidine-2-carboxamide;(2S)-1-[(2S)-3-methyl-2-[[(2R)-2-methylbutanoyl]amino]butanoyl]-N-(4-phenylthiadiazol-5-yl)pyrrolidine-2-carboxamide?

The canonical SMILES for (2S)-1-[(2S)-2-cyclohexyl-2-[(5-hydroxy-2-methylpentanoyl)amino]acetyl]-N-(4-phenylthiadiazol-5-yl)pyrrolidine-2-carboxamide;(2S)-1-[(2S)-2-cyclohexyl-2-[[(2R)-2-methylbutanoyl]amino]acetyl]-N-[2-(2-fluorophenyl)pyrazol-3-yl]pyrrolidine-2-carboxamide;(2S)-N-[(2S,3S)-1-[(2S)-2-[4-(4-fluoronaphthalen-1-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxopentan-2-yl]-2-(methylamino)propanamide;(2S)-1-[(2S)-2-[[(2R)-2-methylbutanoyl]amino]-2-thiophen-3-ylacetyl]-N-(4-phenylthiadiazol-5-yl)pyrrolidine-2-carboxamide;(2S)-1-[(2S)-3-methyl-2-[[(2R)-2-methylbutanoyl]amino]butanoyl]-N-(4-phenylthiadiazol-5-yl)pyrrolidine-2-carboxamide is CC(CCCO)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)Nc1snnc1-c1ccccc1)C1CCCCC1.CC[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)Nc1ccnn1-c1ccccc1F)C1CCCCC1.CC[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)Nc1snnc1-c1ccccc1)C(C)C.CC[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)Nc1snnc1-c1ccccc1)c1ccsc1.CC[C@H](C)[C@H](NC(=O)[C@H](C)NC)C(=O)N1CCC[C@H]1c1nc(-c2ccc(F)c3ccccc23)cs1.

What is the InChIKey of (2S)-1-[(2S)-2-cyclohexyl-2-[(5-hydroxy-2-methylpentanoyl)amino]acetyl]-N-(4-phenylthiadiazol-5-yl)pyrrolidine-2-carboxamide;(2S)-1-[(2S)-2-cyclohexyl-2-[[(2R)-2-methylbutanoyl]amino]acetyl]-N-[2-(2-fluorophenyl)pyrazol-3-yl]pyrrolidine-2-carboxamide;(2S)-N-[(2S,3S)-1-[(2S)-2-[4-(4-fluoronaphthalen-1-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxopentan-2-yl]-2-(methylamino)propanamide;(2S)-1-[(2S)-2-[[(2R)-2-methylbutanoyl]amino]-2-thiophen-3-ylacetyl]-N-(4-phenylthiadiazol-5-yl)pyrrolidine-2-carboxamide;(2S)-1-[(2S)-3-methyl-2-[[(2R)-2-methylbutanoyl]amino]butanoyl]-N-(4-phenylthiadiazol-5-yl)pyrrolidine-2-carboxamide?

The InChIKey is BNAPRHUHLASLOS-WWMDTFQCSA-N. The full InChI is InChI=1S/C27H36FN5O3.C27H33FN4O2S.C27H37N5O4S.C24H27N5O3S2.C23H31N5O3S/c1-3-18(2)25(34)31-24(19-10-5-4-6-11-19)27(36)32-17-9-14-22(32)26(35)30-23-15-16-29-33(23)21-13-8-7-12-20(21)28;1-5-16(2)24(31-25(33)17(3)29-4)27(34)32-14-8-11-23(32)26-30-22(15-35-26)20-12-13-21(28)19-10-7-6-9-18(19)20;1-18(10-9-17-33)24(34)28-23(20-13-6-3-7-14-20)27(36)32-16-8-15-21(32)25(35)29-26-22(30-31-37-26)19-11-4-2-5-12-19;1-3-15(2)21(30)25-20(17-11-13-33-14-17)24(32)29-12-7-10-18(29)22(31)26-23-19(27-28-34-23)16-8-5-4-6-9-16;1-5-15(4)20(29)24-18(14(2)3)23(31)28-13-9-12-17(28)21(30)25-22-19(26-27-32-22)16-10-7-6-8-11-16/h7-8,12-13,15-16,18-19,22,24H,3-6,9-11,14,17H2,1-2H3,(H,30,35)(H,31,34);6-7,9-10,12-13,15-17,23-24,29H,5,8,11,14H2,1-4H3,(H,31,33);2,4-5,11-12,18,20-21,23,33H,3,6-10,13-17H2,1H3,(H,28,34)(H,29,35);4-6,8-9,11,13-15,18,20H,3,7,10,12H2,1-2H3,(H,25,30)(H,26,31);6-8,10-11,14-15,17-18H,5,9,12-13H2,1-4H3,(H,24,29)(H,25,30)/t18-,22+,24+;16-,17-,23-,24-;18?,21-,23-;15-,18+,20+;15-,17+,18+/m10011/s1.

What are the key properties of (2S)-1-[(2S)-2-cyclohexyl-2-[(5-hydroxy-2-methylpentanoyl)amino]acetyl]-N-(4-phenylthiadiazol-5-yl)pyrrolidine-2-carboxamide;(2S)-1-[(2S)-2-cyclohexyl-2-[[(2R)-2-methylbutanoyl]amino]acetyl]-N-[2-(2-fluorophenyl)pyrazol-3-yl]pyrrolidine-2-carboxamide;(2S)-N-[(2S,3S)-1-[(2S)-2-[4-(4-fluoronaphthalen-1-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxopentan-2-yl]-2-(methylamino)propanamide;(2S)-1-[(2S)-2-[[(2R)-2-methylbutanoyl]amino]-2-thiophen-3-ylacetyl]-N-(4-phenylthiadiazol-5-yl)pyrrolidine-2-carboxamide;(2S)-1-[(2S)-3-methyl-2-[[(2R)-2-methylbutanoyl]amino]butanoyl]-N-(4-phenylthiadiazol-5-yl)pyrrolidine-2-carboxamide?

(2S)-1-[(2S)-2-cyclohexyl-2-[(5-hydroxy-2-methylpentanoyl)amino]acetyl]-N-(4-phenylthiadiazol-5-yl)pyrrolidine-2-carboxamide;(2S)-1-[(2S)-2-cyclohexyl-2-[[(2R)-2-methylbutanoyl]amino]acetyl]-N-[2-(2-fluorophenyl)pyrazol-3-yl]pyrrolidine-2-carboxamide;(2S)-N-[(2S,3S)-1-[(2S)-2-[4-(4-fluoronaphthalen-1-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxopentan-2-yl]-2-(methylamino)propanamide;(2S)-1-[(2S)-2-[[(2R)-2-methylbutanoyl]amino]-2-thiophen-3-ylacetyl]-N-(4-phenylthiadiazol-5-yl)pyrrolidine-2-carboxamide;(2S)-1-[(2S)-3-methyl-2-[[(2R)-2-methylbutanoyl]amino]butanoyl]-N-(4-phenylthiadiazol-5-yl)pyrrolidine-2-carboxamide has a molecular weight of 2477.20 g/mol, XLogP of 19.99, 42 rotatable bonds, 11 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-1-[(2S)-2-cyclohexyl-2-[(5-hydroxy-2-methylpentanoyl)amino]acetyl]-N-(4-phenylthiadiazol-5-yl)pyrrolidine-2-carboxamide;(2S)-1-[(2S)-2-cyclohexyl-2-[[(2R)-2-methylbutanoyl]amino]acetyl]-N-[2-(2-fluorophenyl)pyrazol-3-yl]pyrrolidine-2-carboxamide;(2S)-N-[(2S,3S)-1-[(2S)-2-[4-(4-fluoronaphthalen-1-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxopentan-2-yl]-2-(methylamino)propanamide;(2S)-1-[(2S)-2-[[(2R)-2-methylbutanoyl]amino]-2-thiophen-3-ylacetyl]-N-(4-phenylthiadiazol-5-yl)pyrrolidine-2-carboxamide;(2S)-1-[(2S)-3-methyl-2-[[(2R)-2-methylbutanoyl]amino]butanoyl]-N-(4-phenylthiadiazol-5-yl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 157400000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).