N-[5-[2-(2-acetamido-4-pyridinyl)ethyl]-1,3-thiazol-2-yl]-2-(3-tert-butyl-1-methylpyrazol-5-yl)acetamide;N-[5-[2-(2-amino-4-pyridinyl)ethyl]-1,3-thiazol-2-yl]-2-(3-tert-butyl-1-methylpyrazol-5-yl)acetamide;N-[4-[2-[2-[[2-(3-tert-butyl-1-methylpyrazol-5-yl)acetyl]amino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]cyclopropanecarboxamide;N-[4-[2-[2-[(5-tert-butyl-1H-pyrazol-3-yl)carbamoylamino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]acetamide

C86H109N25O7S4 — CID 158504112

About N-[5-[2-(2-acetamido-4-pyridinyl)ethyl]-1,3-thiazol-2-yl]-2-(3-tert-butyl-1-methylpyrazol-5-yl)acetamide;N-[5-[2-(2-amino-4-pyridinyl)ethyl]-1,3-thiazol-2-yl]-2-(3-tert-butyl-1-methylpyrazol-5-yl)acetamide;N-[4-[2-[2-[[2-(3-tert-butyl-1-methylpyrazol-5-yl)acetyl]amino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]cyclopropanecarboxamide;N-[4-[2-[2-[(5-tert-butyl-1H-pyrazol-3-yl)carbamoylamino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]acetamide

N-[5-[2-(2-acetamido-4-pyridinyl)ethyl]-1,3-thiazol-2-yl]-2-(3-tert-butyl-1-methylpyrazol-5-yl)acetamide;N-[5-[2-(2-amino-4-pyridinyl)ethyl]-1,3-thiazol-2-yl]-2-(3-tert-butyl-1-methylpyrazol-5-yl)acetamide;N-[4-[2-[2-[[2-(3-tert-butyl-1-methylpyrazol-5-yl)acetyl]amino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]cyclopropanecarboxamide;N-[4-[2-[2-[(5-tert-butyl-1H-pyrazol-3-yl)carbamoylamino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]acetamide (PubChem CID 158504112) has the molecular formula C86H109N25O7S4 and a molecular weight of 1733.25 g/mol. Its IUPAC name is N-[5-[2-(2-acetamido-4-pyridinyl)ethyl]-1,3-thiazol-2-yl]-2-(3-tert-butyl-1-methylpyrazol-5-yl)acetamide;N-[5-[2-(2-amino-4-pyridinyl)ethyl]-1,3-thiazol-2-yl]-2-(3-tert-butyl-1-methylpyrazol-5-yl)acetamide;N-[4-[2-[2-[[2-(3-tert-butyl-1-methylpyrazol-5-yl)acetyl]amino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]cyclopropanecarboxamide;N-[4-[2-[2-[(5-tert-butyl-1H-pyrazol-3-yl)carbamoylamino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]acetamide.

Molecular Properties

• Compound Name: N-[5-[2-(2-acetamido-4-pyridinyl)ethyl]-1,3-thiazol-2-yl]-2-(3-tert-butyl-1-methylpyrazol-5-yl)acetamide;N-[5-[2-(2-amino-4-pyridinyl)ethyl]-1,3-thiazol-2-yl]-2-(3-tert-butyl-1-methylpyrazol-5-yl)acetamide;N-[4-[2-[2-[[2-(3-tert-butyl-1-methylpyrazol-5-yl)acetyl]amino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]cyclopropanecarboxamide;N-[4-[2-[2-[(5-tert-butyl-1H-pyrazol-3-yl)carbamoylamino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]acetamide
• PubChem CID: 158504112
• Molecular Formula: C86H109N25O7S4
• Molecular Weight: 1733.25 g/mol
• Exact Mass: 1731.78
• IUPAC Name: N-[5-[2-(2-acetamido-4-pyridinyl)ethyl]-1,3-thiazol-2-yl]-2-(3-tert-butyl-1-methylpyrazol-5-yl)acetamide;N-[5-[2-(2-amino-4-pyridinyl)ethyl]-1,3-thiazol-2-yl]-2-(3-tert-butyl-1-methylpyrazol-5-yl)acetamide;N-[4-[2-[2-[[2-(3-tert-butyl-1-methylpyrazol-5-yl)acetyl]amino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]cyclopropanecarboxamide;N-[4-[2-[2-[(5-tert-butyl-1H-pyrazol-3-yl)carbamoylamino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]acetamide
• SMILES: CC(=O)Nc1cc(CCc2cnc(NC(=O)Cc3cc(C(C)(C)C)nn3C)s2)ccn1.CC(=O)Nc1cc(CCc2cnc(NC(=O)Nc3cc(C(C)(C)C)[nH]n3)s2)ccn1.Cn1nc(C(C)(C)C)cc1CC(=O)Nc1ncc(CCc2ccnc(N)c2)s1.Cn1nc(C(C)(C)C)cc1CC(=O)Nc1ncc(CCc2ccnc(NC(=O)C3CC3)c2)s1
• InChI: InChI=1S/C24H30N6O2S.C22H28N6O2S.C20H25N7O2S.C20H26N6OS/c1-24(2,3)19-12-17(30(4)29-19)13-21(31)28-23-26-14-18(33-23)8-5-15-9-10-25-20(11-15)27-22(32)16-6-7-16;1-14(29)25-19-10-15(8-9-23-19)6-7-17-13-24-21(31-17)26-20(30)12-16-11-18(22(2,3)4)27-28(16)5;1-12(28)23-16-9-13(7-8-21-16)5-6-14-11-22-19(30-14)25-18(29)24-17-10-15(26-27-17)20(2,3)4;1-20(2,3)16-10-14(26(4)25-16)11-18(27)24-19-23-12-15(28-19)6-5-13-7-8-22-17(21)9-13/h9-12,14,16H,5-8,13H2,1-4H3,(H,25,27,32)(H,26,28,31);8-11,13H,6-7,12H2,1-5H3,(H,23,25,29)(H,24,26,30);7-11H,5-6H2,1-4H3,(H,21,23,28)(H3,22,24,25,26,27,29);7-10,12H,5-6,11H2,1-4H3,(H2,21,22)(H,23,24,27)
• InChIKey: HKGLNCBHRIWRCJ-UHFFFAOYSA-N
• XLogP: 14.44
• TPSA: 427.01 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 27
• Rotatable Bonds: 27
• Heavy Atoms: 122
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1733.25
LogP ≤ 5	14.44
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	27

Frequently Asked Questions

What is the IUPAC name of N-[5-[2-(2-acetamido-4-pyridinyl)ethyl]-1,3-thiazol-2-yl]-2-(3-tert-butyl-1-methylpyrazol-5-yl)acetamide;N-[5-[2-(2-amino-4-pyridinyl)ethyl]-1,3-thiazol-2-yl]-2-(3-tert-butyl-1-methylpyrazol-5-yl)acetamide;N-[4-[2-[2-[[2-(3-tert-butyl-1-methylpyrazol-5-yl)acetyl]amino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]cyclopropanecarboxamide;N-[4-[2-[2-[(5-tert-butyl-1H-pyrazol-3-yl)carbamoylamino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]acetamide?

The IUPAC name of N-[5-[2-(2-acetamido-4-pyridinyl)ethyl]-1,3-thiazol-2-yl]-2-(3-tert-butyl-1-methylpyrazol-5-yl)acetamide;N-[5-[2-(2-amino-4-pyridinyl)ethyl]-1,3-thiazol-2-yl]-2-(3-tert-butyl-1-methylpyrazol-5-yl)acetamide;N-[4-[2-[2-[[2-(3-tert-butyl-1-methylpyrazol-5-yl)acetyl]amino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]cyclopropanecarboxamide;N-[4-[2-[2-[(5-tert-butyl-1H-pyrazol-3-yl)carbamoylamino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]acetamide (CID 158504112) is N-[5-[2-(2-acetamido-4-pyridinyl)ethyl]-1,3-thiazol-2-yl]-2-(3-tert-butyl-1-methylpyrazol-5-yl)acetamide;N-[5-[2-(2-amino-4-pyridinyl)ethyl]-1,3-thiazol-2-yl]-2-(3-tert-butyl-1-methylpyrazol-5-yl)acetamide;N-[4-[2-[2-[[2-(3-tert-butyl-1-methylpyrazol-5-yl)acetyl]amino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]cyclopropanecarboxamide;N-[4-[2-[2-[(5-tert-butyl-1H-pyrazol-3-yl)carbamoylamino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]acetamide.

What is the SMILES notation for N-[5-[2-(2-acetamido-4-pyridinyl)ethyl]-1,3-thiazol-2-yl]-2-(3-tert-butyl-1-methylpyrazol-5-yl)acetamide;N-[5-[2-(2-amino-4-pyridinyl)ethyl]-1,3-thiazol-2-yl]-2-(3-tert-butyl-1-methylpyrazol-5-yl)acetamide;N-[4-[2-[2-[[2-(3-tert-butyl-1-methylpyrazol-5-yl)acetyl]amino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]cyclopropanecarboxamide;N-[4-[2-[2-[(5-tert-butyl-1H-pyrazol-3-yl)carbamoylamino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]acetamide?

The canonical SMILES for N-[5-[2-(2-acetamido-4-pyridinyl)ethyl]-1,3-thiazol-2-yl]-2-(3-tert-butyl-1-methylpyrazol-5-yl)acetamide;N-[5-[2-(2-amino-4-pyridinyl)ethyl]-1,3-thiazol-2-yl]-2-(3-tert-butyl-1-methylpyrazol-5-yl)acetamide;N-[4-[2-[2-[[2-(3-tert-butyl-1-methylpyrazol-5-yl)acetyl]amino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]cyclopropanecarboxamide;N-[4-[2-[2-[(5-tert-butyl-1H-pyrazol-3-yl)carbamoylamino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]acetamide is CC(=O)Nc1cc(CCc2cnc(NC(=O)Cc3cc(C(C)(C)C)nn3C)s2)ccn1.CC(=O)Nc1cc(CCc2cnc(NC(=O)Nc3cc(C(C)(C)C)[nH]n3)s2)ccn1.Cn1nc(C(C)(C)C)cc1CC(=O)Nc1ncc(CCc2ccnc(N)c2)s1.Cn1nc(C(C)(C)C)cc1CC(=O)Nc1ncc(CCc2ccnc(NC(=O)C3CC3)c2)s1.

What is the InChIKey of N-[5-[2-(2-acetamido-4-pyridinyl)ethyl]-1,3-thiazol-2-yl]-2-(3-tert-butyl-1-methylpyrazol-5-yl)acetamide;N-[5-[2-(2-amino-4-pyridinyl)ethyl]-1,3-thiazol-2-yl]-2-(3-tert-butyl-1-methylpyrazol-5-yl)acetamide;N-[4-[2-[2-[[2-(3-tert-butyl-1-methylpyrazol-5-yl)acetyl]amino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]cyclopropanecarboxamide;N-[4-[2-[2-[(5-tert-butyl-1H-pyrazol-3-yl)carbamoylamino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]acetamide?

The InChIKey is HKGLNCBHRIWRCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N6O2S.C22H28N6O2S.C20H25N7O2S.C20H26N6OS/c1-24(2,3)19-12-17(30(4)29-19)13-21(31)28-23-26-14-18(33-23)8-5-15-9-10-25-20(11-15)27-22(32)16-6-7-16;1-14(29)25-19-10-15(8-9-23-19)6-7-17-13-24-21(31-17)26-20(30)12-16-11-18(22(2,3)4)27-28(16)5;1-12(28)23-16-9-13(7-8-21-16)5-6-14-11-22-19(30-14)25-18(29)24-17-10-15(26-27-17)20(2,3)4;1-20(2,3)16-10-14(26(4)25-16)11-18(27)24-19-23-12-15(28-19)6-5-13-7-8-22-17(21)9-13/h9-12,14,16H,5-8,13H2,1-4H3,(H,25,27,32)(H,26,28,31);8-11,13H,6-7,12H2,1-5H3,(H,23,25,29)(H,24,26,30);7-11H,5-6H2,1-4H3,(H,21,23,28)(H3,22,24,25,26,27,29);7-10,12H,5-6,11H2,1-4H3,(H2,21,22)(H,23,24,27).

What are the key properties of N-[5-[2-(2-acetamido-4-pyridinyl)ethyl]-1,3-thiazol-2-yl]-2-(3-tert-butyl-1-methylpyrazol-5-yl)acetamide;N-[5-[2-(2-amino-4-pyridinyl)ethyl]-1,3-thiazol-2-yl]-2-(3-tert-butyl-1-methylpyrazol-5-yl)acetamide;N-[4-[2-[2-[[2-(3-tert-butyl-1-methylpyrazol-5-yl)acetyl]amino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]cyclopropanecarboxamide;N-[4-[2-[2-[(5-tert-butyl-1H-pyrazol-3-yl)carbamoylamino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]acetamide?

N-[5-[2-(2-acetamido-4-pyridinyl)ethyl]-1,3-thiazol-2-yl]-2-(3-tert-butyl-1-methylpyrazol-5-yl)acetamide;N-[5-[2-(2-amino-4-pyridinyl)ethyl]-1,3-thiazol-2-yl]-2-(3-tert-butyl-1-methylpyrazol-5-yl)acetamide;N-[4-[2-[2-[[2-(3-tert-butyl-1-methylpyrazol-5-yl)acetyl]amino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]cyclopropanecarboxamide;N-[4-[2-[2-[(5-tert-butyl-1H-pyrazol-3-yl)carbamoylamino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]acetamide has a molecular weight of 1733.25 g/mol, XLogP of 14.44, 27 rotatable bonds, 10 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[2-(2-acetamido-4-pyridinyl)ethyl]-1,3-thiazol-2-yl]-2-(3-tert-butyl-1-methylpyrazol-5-yl)acetamide;N-[5-[2-(2-amino-4-pyridinyl)ethyl]-1,3-thiazol-2-yl]-2-(3-tert-butyl-1-methylpyrazol-5-yl)acetamide;N-[4-[2-[2-[[2-(3-tert-butyl-1-methylpyrazol-5-yl)acetyl]amino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]cyclopropanecarboxamide;N-[4-[2-[2-[(5-tert-butyl-1H-pyrazol-3-yl)carbamoylamino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]acetamide is sourced from PubChem (CID 158504112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).