N-[4-[2-[2-[[2-(3-tert-butyl-1-methylpyrazol-5-yl)acetyl]amino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]-3-methoxypropanamide;N-[4-[2-[2-[[2-(3-tert-butyl-1-methylpyrazol-5-yl)acetyl]amino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]-2-methylpropanamide;2-(3-tert-butyl-1-methylpyrazol-5-yl)-N-[5-[2-[2-[(2-hydroxyacetyl)amino]-4-pyridinyl]ethyl]-1,3-thiazol-2-yl]acetamide;2-(3-tert-butyl-1-methylpyrazol-5-yl)-N-[5-[2-[2-[(2-methoxyacetyl)amino]-4-pyridinyl]ethyl]-1,3-thiazol-2-yl]acetamide

C93H122N24O11S4 — CID 157338948

About N-[4-[2-[2-[[2-(3-tert-butyl-1-methylpyrazol-5-yl)acetyl]amino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]-3-methoxypropanamide;N-[4-[2-[2-[[2-(3-tert-butyl-1-methylpyrazol-5-yl)acetyl]amino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]-2-methylpropanamide;2-(3-tert-butyl-1-methylpyrazol-5-yl)-N-[5-[2-[2-[(2-hydroxyacetyl)amino]-4-pyridinyl]ethyl]-1,3-thiazol-2-yl]acetamide;2-(3-tert-butyl-1-methylpyrazol-5-yl)-N-[5-[2-[2-[(2-methoxyacetyl)amino]-4-pyridinyl]ethyl]-1,3-thiazol-2-yl]acetamide

N-[4-[2-[2-[[2-(3-tert-butyl-1-methylpyrazol-5-yl)acetyl]amino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]-3-methoxypropanamide;N-[4-[2-[2-[[2-(3-tert-butyl-1-methylpyrazol-5-yl)acetyl]amino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]-2-methylpropanamide;2-(3-tert-butyl-1-methylpyrazol-5-yl)-N-[5-[2-[2-[(2-hydroxyacetyl)amino]-4-pyridinyl]ethyl]-1,3-thiazol-2-yl]acetamide;2-(3-tert-butyl-1-methylpyrazol-5-yl)-N-[5-[2-[2-[(2-methoxyacetyl)amino]-4-pyridinyl]ethyl]-1,3-thiazol-2-yl]acetamide (PubChem CID 157338948) has the molecular formula C93H122N24O11S4 and a molecular weight of 1880.42 g/mol. Its IUPAC name is N-[4-[2-[2-[[2-(3-tert-butyl-1-methylpyrazol-5-yl)acetyl]amino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]-3-methoxypropanamide;N-[4-[2-[2-[[2-(3-tert-butyl-1-methylpyrazol-5-yl)acetyl]amino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]-2-methylpropanamide;2-(3-tert-butyl-1-methylpyrazol-5-yl)-N-[5-[2-[2-[(2-hydroxyacetyl)amino]-4-pyridinyl]ethyl]-1,3-thiazol-2-yl]acetamide;2-(3-tert-butyl-1-methylpyrazol-5-yl)-N-[5-[2-[2-[(2-methoxyacetyl)amino]-4-pyridinyl]ethyl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

• Compound Name: N-[4-[2-[2-[[2-(3-tert-butyl-1-methylpyrazol-5-yl)acetyl]amino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]-3-methoxypropanamide;N-[4-[2-[2-[[2-(3-tert-butyl-1-methylpyrazol-5-yl)acetyl]amino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]-2-methylpropanamide;2-(3-tert-butyl-1-methylpyrazol-5-yl)-N-[5-[2-[2-[(2-hydroxyacetyl)amino]-4-pyridinyl]ethyl]-1,3-thiazol-2-yl]acetamide;2-(3-tert-butyl-1-methylpyrazol-5-yl)-N-[5-[2-[2-[(2-methoxyacetyl)amino]-4-pyridinyl]ethyl]-1,3-thiazol-2-yl]acetamide
• PubChem CID: 157338948
• Molecular Formula: C93H122N24O11S4
• Molecular Weight: 1880.42 g/mol
• Exact Mass: 1878.86
• IUPAC Name: N-[4-[2-[2-[[2-(3-tert-butyl-1-methylpyrazol-5-yl)acetyl]amino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]-3-methoxypropanamide;N-[4-[2-[2-[[2-(3-tert-butyl-1-methylpyrazol-5-yl)acetyl]amino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]-2-methylpropanamide;2-(3-tert-butyl-1-methylpyrazol-5-yl)-N-[5-[2-[2-[(2-hydroxyacetyl)amino]-4-pyridinyl]ethyl]-1,3-thiazol-2-yl]acetamide;2-(3-tert-butyl-1-methylpyrazol-5-yl)-N-[5-[2-[2-[(2-methoxyacetyl)amino]-4-pyridinyl]ethyl]-1,3-thiazol-2-yl]acetamide
• SMILES: CC(C)C(=O)Nc1cc(CCc2cnc(NC(=O)Cc3cc(C(C)(C)C)nn3C)s2)ccn1.COCC(=O)Nc1cc(CCc2cnc(NC(=O)Cc3cc(C(C)(C)C)nn3C)s2)ccn1.COCCC(=O)Nc1cc(CCc2cnc(NC(=O)Cc3cc(C(C)(C)C)nn3C)s2)ccn1.Cn1nc(C(C)(C)C)cc1CC(=O)Nc1ncc(CCc2ccnc(NC(=O)CO)c2)s1
• InChI: InChI=1S/C24H32N6O3S.C24H32N6O2S.C23H30N6O3S.C22H28N6O3S/c1-24(2,3)19-13-17(30(4)29-19)14-22(32)28-23-26-15-18(34-23)7-6-16-8-10-25-20(12-16)27-21(31)9-11-33-5;1-15(2)22(32)27-20-11-16(9-10-25-20)7-8-18-14-26-23(33-18)28-21(31)13-17-12-19(24(3,4)5)29-30(17)6;1-23(2,3)18-11-16(29(4)28-18)12-20(30)27-22-25-13-17(33-22)7-6-15-8-9-24-19(10-15)26-21(31)14-32-5;1-22(2,3)17-10-15(28(4)27-17)11-19(30)26-21-24-12-16(32-21)6-5-14-7-8-23-18(9-14)25-20(31)13-29/h8,10,12-13,15H,6-7,9,11,14H2,1-5H3,(H,25,27,31)(H,26,28,32);9-12,14-15H,7-8,13H2,1-6H3,(H,25,27,32)(H,26,28,31);8-11,13H,6-7,12,14H2,1-5H3,(H,24,26,31)(H,25,27,30);7-10,12,29H,5-6,11,13H2,1-4H3,(H,23,25,31)(H,24,26,30)
• InChIKey: BGEBOSRQMWSLNR-UHFFFAOYSA-N
• XLogP: 13.23
• TPSA: 445.89 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 31
• Rotatable Bonds: 35
• Heavy Atoms: 132
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1880.42
LogP ≤ 5	13.23
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	31

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[2-[[2-(3-tert-butyl-1-methylpyrazol-5-yl)acetyl]amino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]-3-methoxypropanamide;N-[4-[2-[2-[[2-(3-tert-butyl-1-methylpyrazol-5-yl)acetyl]amino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]-2-methylpropanamide;2-(3-tert-butyl-1-methylpyrazol-5-yl)-N-[5-[2-[2-[(2-hydroxyacetyl)amino]-4-pyridinyl]ethyl]-1,3-thiazol-2-yl]acetamide;2-(3-tert-butyl-1-methylpyrazol-5-yl)-N-[5-[2-[2-[(2-methoxyacetyl)amino]-4-pyridinyl]ethyl]-1,3-thiazol-2-yl]acetamide?

The IUPAC name of N-[4-[2-[2-[[2-(3-tert-butyl-1-methylpyrazol-5-yl)acetyl]amino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]-3-methoxypropanamide;N-[4-[2-[2-[[2-(3-tert-butyl-1-methylpyrazol-5-yl)acetyl]amino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]-2-methylpropanamide;2-(3-tert-butyl-1-methylpyrazol-5-yl)-N-[5-[2-[2-[(2-hydroxyacetyl)amino]-4-pyridinyl]ethyl]-1,3-thiazol-2-yl]acetamide;2-(3-tert-butyl-1-methylpyrazol-5-yl)-N-[5-[2-[2-[(2-methoxyacetyl)amino]-4-pyridinyl]ethyl]-1,3-thiazol-2-yl]acetamide (CID 157338948) is N-[4-[2-[2-[[2-(3-tert-butyl-1-methylpyrazol-5-yl)acetyl]amino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]-3-methoxypropanamide;N-[4-[2-[2-[[2-(3-tert-butyl-1-methylpyrazol-5-yl)acetyl]amino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]-2-methylpropanamide;2-(3-tert-butyl-1-methylpyrazol-5-yl)-N-[5-[2-[2-[(2-hydroxyacetyl)amino]-4-pyridinyl]ethyl]-1,3-thiazol-2-yl]acetamide;2-(3-tert-butyl-1-methylpyrazol-5-yl)-N-[5-[2-[2-[(2-methoxyacetyl)amino]-4-pyridinyl]ethyl]-1,3-thiazol-2-yl]acetamide.

What is the SMILES notation for N-[4-[2-[2-[[2-(3-tert-butyl-1-methylpyrazol-5-yl)acetyl]amino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]-3-methoxypropanamide;N-[4-[2-[2-[[2-(3-tert-butyl-1-methylpyrazol-5-yl)acetyl]amino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]-2-methylpropanamide;2-(3-tert-butyl-1-methylpyrazol-5-yl)-N-[5-[2-[2-[(2-hydroxyacetyl)amino]-4-pyridinyl]ethyl]-1,3-thiazol-2-yl]acetamide;2-(3-tert-butyl-1-methylpyrazol-5-yl)-N-[5-[2-[2-[(2-methoxyacetyl)amino]-4-pyridinyl]ethyl]-1,3-thiazol-2-yl]acetamide?

The canonical SMILES for N-[4-[2-[2-[[2-(3-tert-butyl-1-methylpyrazol-5-yl)acetyl]amino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]-3-methoxypropanamide;N-[4-[2-[2-[[2-(3-tert-butyl-1-methylpyrazol-5-yl)acetyl]amino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]-2-methylpropanamide;2-(3-tert-butyl-1-methylpyrazol-5-yl)-N-[5-[2-[2-[(2-hydroxyacetyl)amino]-4-pyridinyl]ethyl]-1,3-thiazol-2-yl]acetamide;2-(3-tert-butyl-1-methylpyrazol-5-yl)-N-[5-[2-[2-[(2-methoxyacetyl)amino]-4-pyridinyl]ethyl]-1,3-thiazol-2-yl]acetamide is CC(C)C(=O)Nc1cc(CCc2cnc(NC(=O)Cc3cc(C(C)(C)C)nn3C)s2)ccn1.COCC(=O)Nc1cc(CCc2cnc(NC(=O)Cc3cc(C(C)(C)C)nn3C)s2)ccn1.COCCC(=O)Nc1cc(CCc2cnc(NC(=O)Cc3cc(C(C)(C)C)nn3C)s2)ccn1.Cn1nc(C(C)(C)C)cc1CC(=O)Nc1ncc(CCc2ccnc(NC(=O)CO)c2)s1.

What is the InChIKey of N-[4-[2-[2-[[2-(3-tert-butyl-1-methylpyrazol-5-yl)acetyl]amino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]-3-methoxypropanamide;N-[4-[2-[2-[[2-(3-tert-butyl-1-methylpyrazol-5-yl)acetyl]amino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]-2-methylpropanamide;2-(3-tert-butyl-1-methylpyrazol-5-yl)-N-[5-[2-[2-[(2-hydroxyacetyl)amino]-4-pyridinyl]ethyl]-1,3-thiazol-2-yl]acetamide;2-(3-tert-butyl-1-methylpyrazol-5-yl)-N-[5-[2-[2-[(2-methoxyacetyl)amino]-4-pyridinyl]ethyl]-1,3-thiazol-2-yl]acetamide?

The InChIKey is BGEBOSRQMWSLNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N6O3S.C24H32N6O2S.C23H30N6O3S.C22H28N6O3S/c1-24(2,3)19-13-17(30(4)29-19)14-22(32)28-23-26-15-18(34-23)7-6-16-8-10-25-20(12-16)27-21(31)9-11-33-5;1-15(2)22(32)27-20-11-16(9-10-25-20)7-8-18-14-26-23(33-18)28-21(31)13-17-12-19(24(3,4)5)29-30(17)6;1-23(2,3)18-11-16(29(4)28-18)12-20(30)27-22-25-13-17(33-22)7-6-15-8-9-24-19(10-15)26-21(31)14-32-5;1-22(2,3)17-10-15(28(4)27-17)11-19(30)26-21-24-12-16(32-21)6-5-14-7-8-23-18(9-14)25-20(31)13-29/h8,10,12-13,15H,6-7,9,11,14H2,1-5H3,(H,25,27,31)(H,26,28,32);9-12,14-15H,7-8,13H2,1-6H3,(H,25,27,32)(H,26,28,31);8-11,13H,6-7,12,14H2,1-5H3,(H,24,26,31)(H,25,27,30);7-10,12,29H,5-6,11,13H2,1-4H3,(H,23,25,31)(H,24,26,30).

What are the key properties of N-[4-[2-[2-[[2-(3-tert-butyl-1-methylpyrazol-5-yl)acetyl]amino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]-3-methoxypropanamide;N-[4-[2-[2-[[2-(3-tert-butyl-1-methylpyrazol-5-yl)acetyl]amino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]-2-methylpropanamide;2-(3-tert-butyl-1-methylpyrazol-5-yl)-N-[5-[2-[2-[(2-hydroxyacetyl)amino]-4-pyridinyl]ethyl]-1,3-thiazol-2-yl]acetamide;2-(3-tert-butyl-1-methylpyrazol-5-yl)-N-[5-[2-[2-[(2-methoxyacetyl)amino]-4-pyridinyl]ethyl]-1,3-thiazol-2-yl]acetamide?

N-[4-[2-[2-[[2-(3-tert-butyl-1-methylpyrazol-5-yl)acetyl]amino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]-3-methoxypropanamide;N-[4-[2-[2-[[2-(3-tert-butyl-1-methylpyrazol-5-yl)acetyl]amino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]-2-methylpropanamide;2-(3-tert-butyl-1-methylpyrazol-5-yl)-N-[5-[2-[2-[(2-hydroxyacetyl)amino]-4-pyridinyl]ethyl]-1,3-thiazol-2-yl]acetamide;2-(3-tert-butyl-1-methylpyrazol-5-yl)-N-[5-[2-[2-[(2-methoxyacetyl)amino]-4-pyridinyl]ethyl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 1880.42 g/mol, XLogP of 13.23, 35 rotatable bonds, 9 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[2-[2-[[2-(3-tert-butyl-1-methylpyrazol-5-yl)acetyl]amino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]-3-methoxypropanamide;N-[4-[2-[2-[[2-(3-tert-butyl-1-methylpyrazol-5-yl)acetyl]amino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]-2-methylpropanamide;2-(3-tert-butyl-1-methylpyrazol-5-yl)-N-[5-[2-[2-[(2-hydroxyacetyl)amino]-4-pyridinyl]ethyl]-1,3-thiazol-2-yl]acetamide;2-(3-tert-butyl-1-methylpyrazol-5-yl)-N-[5-[2-[2-[(2-methoxyacetyl)amino]-4-pyridinyl]ethyl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 157338948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).