1-[5-[2-(2-amino-4-pyridinyl)ethyl]-1,3-thiazol-2-yl]-3-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]urea;1-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-3-[5-(2-pyridin-4-ylethyl)-1,3-thiazol-2-yl]urea;1-[3-(3-methyloxetan-3-yl)-1-(4-methylphenyl)pyrazol-5-yl]-3-[5-(2-pyridin-4-ylethyl)-1,3-thiazol-2-yl]urea;1-[1-(4-methylphenyl)-3-(3-methylthietan-3-yl)pyrazol-5-yl]-3-[5-(2-pyridin-4-ylethyl)-1,3-thiazol-2-yl]urea

C100H109N25O5S5 — CID 160504206

About 1-[5-[2-(2-amino-4-pyridinyl)ethyl]-1,3-thiazol-2-yl]-3-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]urea;1-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-3-[5-(2-pyridin-4-ylethyl)-1,3-thiazol-2-yl]urea;1-[3-(3-methyloxetan-3-yl)-1-(4-methylphenyl)pyrazol-5-yl]-3-[5-(2-pyridin-4-ylethyl)-1,3-thiazol-2-yl]urea;1-[1-(4-methylphenyl)-3-(3-methylthietan-3-yl)pyrazol-5-yl]-3-[5-(2-pyridin-4-ylethyl)-1,3-thiazol-2-yl]urea

1-[5-[2-(2-amino-4-pyridinyl)ethyl]-1,3-thiazol-2-yl]-3-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]urea;1-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-3-[5-(2-pyridin-4-ylethyl)-1,3-thiazol-2-yl]urea;1-[3-(3-methyloxetan-3-yl)-1-(4-methylphenyl)pyrazol-5-yl]-3-[5-(2-pyridin-4-ylethyl)-1,3-thiazol-2-yl]urea;1-[1-(4-methylphenyl)-3-(3-methylthietan-3-yl)pyrazol-5-yl]-3-[5-(2-pyridin-4-ylethyl)-1,3-thiazol-2-yl]urea (PubChem CID 160504206) has the molecular formula C100H109N25O5S5 and a molecular weight of 1901.48 g/mol. Its IUPAC name is 1-[5-[2-(2-amino-4-pyridinyl)ethyl]-1,3-thiazol-2-yl]-3-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]urea;1-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-3-[5-(2-pyridin-4-ylethyl)-1,3-thiazol-2-yl]urea;1-[3-(3-methyloxetan-3-yl)-1-(4-methylphenyl)pyrazol-5-yl]-3-[5-(2-pyridin-4-ylethyl)-1,3-thiazol-2-yl]urea;1-[1-(4-methylphenyl)-3-(3-methylthietan-3-yl)pyrazol-5-yl]-3-[5-(2-pyridin-4-ylethyl)-1,3-thiazol-2-yl]urea.

Molecular Properties

• Compound Name: 1-[5-[2-(2-amino-4-pyridinyl)ethyl]-1,3-thiazol-2-yl]-3-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]urea;1-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-3-[5-(2-pyridin-4-ylethyl)-1,3-thiazol-2-yl]urea;1-[3-(3-methyloxetan-3-yl)-1-(4-methylphenyl)pyrazol-5-yl]-3-[5-(2-pyridin-4-ylethyl)-1,3-thiazol-2-yl]urea;1-[1-(4-methylphenyl)-3-(3-methylthietan-3-yl)pyrazol-5-yl]-3-[5-(2-pyridin-4-ylethyl)-1,3-thiazol-2-yl]urea
• PubChem CID: 160504206
• Molecular Formula: C100H109N25O5S5
• Molecular Weight: 1901.48 g/mol
• Exact Mass: 1899.76
• IUPAC Name: 1-[5-[2-(2-amino-4-pyridinyl)ethyl]-1,3-thiazol-2-yl]-3-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]urea;1-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-3-[5-(2-pyridin-4-ylethyl)-1,3-thiazol-2-yl]urea;1-[3-(3-methyloxetan-3-yl)-1-(4-methylphenyl)pyrazol-5-yl]-3-[5-(2-pyridin-4-ylethyl)-1,3-thiazol-2-yl]urea;1-[1-(4-methylphenyl)-3-(3-methylthietan-3-yl)pyrazol-5-yl]-3-[5-(2-pyridin-4-ylethyl)-1,3-thiazol-2-yl]urea
• SMILES: Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ncc(CCc3ccnc(N)c3)s2)cc1.Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ncc(CCc3ccncc3)s2)cc1.Cc1ccc(-n2nc(C3(C)COC3)cc2NC(=O)Nc2ncc(CCc3ccncc3)s2)cc1.Cc1ccc(-n2nc(C3(C)CSC3)cc2NC(=O)Nc2ncc(CCc3ccncc3)s2)cc1
• InChI: InChI=1S/C25H29N7OS.C25H26N6O2S.C25H26N6OS2.C25H28N6OS/c1-16-5-8-18(9-6-16)32-22(14-20(31-32)25(2,3)4)29-23(33)30-24-28-15-19(34-24)10-7-17-11-12-27-21(26)13-17;2*1-17-3-6-19(7-4-17)31-22(13-21(30-31)25(2)15-33-16-25)28-23(32)29-24-27-14-20(34-24)8-5-18-9-11-26-12-10-18;1-17-5-8-19(9-6-17)31-22(15-21(30-31)25(2,3)4)28-23(32)29-24-27-16-20(33-24)10-7-18-11-13-26-14-12-18/h5-6,8-9,11-15H,7,10H2,1-4H3,(H2,26,27)(H2,28,29,30,33);2*3-4,6-7,9-14H,5,8,15-16H2,1-2H3,(H2,27,28,29,32);5-6,8-9,11-16H,7,10H2,1-4H3,(H2,27,28,29,32)
• InChIKey: QSEFZRAKOWKZTO-UHFFFAOYSA-N
• XLogP: 21.32
• TPSA: 374.17 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 27
• Rotatable Bonds: 26
• Heavy Atoms: 135
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1901.48
LogP ≤ 5	21.32
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	27

Frequently Asked Questions

What is the IUPAC name of 1-[5-[2-(2-amino-4-pyridinyl)ethyl]-1,3-thiazol-2-yl]-3-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]urea;1-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-3-[5-(2-pyridin-4-ylethyl)-1,3-thiazol-2-yl]urea;1-[3-(3-methyloxetan-3-yl)-1-(4-methylphenyl)pyrazol-5-yl]-3-[5-(2-pyridin-4-ylethyl)-1,3-thiazol-2-yl]urea;1-[1-(4-methylphenyl)-3-(3-methylthietan-3-yl)pyrazol-5-yl]-3-[5-(2-pyridin-4-ylethyl)-1,3-thiazol-2-yl]urea?

The IUPAC name of 1-[5-[2-(2-amino-4-pyridinyl)ethyl]-1,3-thiazol-2-yl]-3-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]urea;1-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-3-[5-(2-pyridin-4-ylethyl)-1,3-thiazol-2-yl]urea;1-[3-(3-methyloxetan-3-yl)-1-(4-methylphenyl)pyrazol-5-yl]-3-[5-(2-pyridin-4-ylethyl)-1,3-thiazol-2-yl]urea;1-[1-(4-methylphenyl)-3-(3-methylthietan-3-yl)pyrazol-5-yl]-3-[5-(2-pyridin-4-ylethyl)-1,3-thiazol-2-yl]urea (CID 160504206) is 1-[5-[2-(2-amino-4-pyridinyl)ethyl]-1,3-thiazol-2-yl]-3-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]urea;1-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-3-[5-(2-pyridin-4-ylethyl)-1,3-thiazol-2-yl]urea;1-[3-(3-methyloxetan-3-yl)-1-(4-methylphenyl)pyrazol-5-yl]-3-[5-(2-pyridin-4-ylethyl)-1,3-thiazol-2-yl]urea;1-[1-(4-methylphenyl)-3-(3-methylthietan-3-yl)pyrazol-5-yl]-3-[5-(2-pyridin-4-ylethyl)-1,3-thiazol-2-yl]urea.

What is the SMILES notation for 1-[5-[2-(2-amino-4-pyridinyl)ethyl]-1,3-thiazol-2-yl]-3-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]urea;1-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-3-[5-(2-pyridin-4-ylethyl)-1,3-thiazol-2-yl]urea;1-[3-(3-methyloxetan-3-yl)-1-(4-methylphenyl)pyrazol-5-yl]-3-[5-(2-pyridin-4-ylethyl)-1,3-thiazol-2-yl]urea;1-[1-(4-methylphenyl)-3-(3-methylthietan-3-yl)pyrazol-5-yl]-3-[5-(2-pyridin-4-ylethyl)-1,3-thiazol-2-yl]urea?

The canonical SMILES for 1-[5-[2-(2-amino-4-pyridinyl)ethyl]-1,3-thiazol-2-yl]-3-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]urea;1-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-3-[5-(2-pyridin-4-ylethyl)-1,3-thiazol-2-yl]urea;1-[3-(3-methyloxetan-3-yl)-1-(4-methylphenyl)pyrazol-5-yl]-3-[5-(2-pyridin-4-ylethyl)-1,3-thiazol-2-yl]urea;1-[1-(4-methylphenyl)-3-(3-methylthietan-3-yl)pyrazol-5-yl]-3-[5-(2-pyridin-4-ylethyl)-1,3-thiazol-2-yl]urea is Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ncc(CCc3ccnc(N)c3)s2)cc1.Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ncc(CCc3ccncc3)s2)cc1.Cc1ccc(-n2nc(C3(C)COC3)cc2NC(=O)Nc2ncc(CCc3ccncc3)s2)cc1.Cc1ccc(-n2nc(C3(C)CSC3)cc2NC(=O)Nc2ncc(CCc3ccncc3)s2)cc1.

What is the InChIKey of 1-[5-[2-(2-amino-4-pyridinyl)ethyl]-1,3-thiazol-2-yl]-3-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]urea;1-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-3-[5-(2-pyridin-4-ylethyl)-1,3-thiazol-2-yl]urea;1-[3-(3-methyloxetan-3-yl)-1-(4-methylphenyl)pyrazol-5-yl]-3-[5-(2-pyridin-4-ylethyl)-1,3-thiazol-2-yl]urea;1-[1-(4-methylphenyl)-3-(3-methylthietan-3-yl)pyrazol-5-yl]-3-[5-(2-pyridin-4-ylethyl)-1,3-thiazol-2-yl]urea?

The InChIKey is QSEFZRAKOWKZTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N7OS.C25H26N6O2S.C25H26N6OS2.C25H28N6OS/c1-16-5-8-18(9-6-16)32-22(14-20(31-32)25(2,3)4)29-23(33)30-24-28-15-19(34-24)10-7-17-11-12-27-21(26)13-17;2*1-17-3-6-19(7-4-17)31-22(13-21(30-31)25(2)15-33-16-25)28-23(32)29-24-27-14-20(34-24)8-5-18-9-11-26-12-10-18;1-17-5-8-19(9-6-17)31-22(15-21(30-31)25(2,3)4)28-23(32)29-24-27-16-20(33-24)10-7-18-11-13-26-14-12-18/h5-6,8-9,11-15H,7,10H2,1-4H3,(H2,26,27)(H2,28,29,30,33);2*3-4,6-7,9-14H,5,8,15-16H2,1-2H3,(H2,27,28,29,32);5-6,8-9,11-16H,7,10H2,1-4H3,(H2,27,28,29,32).

What are the key properties of 1-[5-[2-(2-amino-4-pyridinyl)ethyl]-1,3-thiazol-2-yl]-3-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]urea;1-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-3-[5-(2-pyridin-4-ylethyl)-1,3-thiazol-2-yl]urea;1-[3-(3-methyloxetan-3-yl)-1-(4-methylphenyl)pyrazol-5-yl]-3-[5-(2-pyridin-4-ylethyl)-1,3-thiazol-2-yl]urea;1-[1-(4-methylphenyl)-3-(3-methylthietan-3-yl)pyrazol-5-yl]-3-[5-(2-pyridin-4-ylethyl)-1,3-thiazol-2-yl]urea?

1-[5-[2-(2-amino-4-pyridinyl)ethyl]-1,3-thiazol-2-yl]-3-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]urea;1-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-3-[5-(2-pyridin-4-ylethyl)-1,3-thiazol-2-yl]urea;1-[3-(3-methyloxetan-3-yl)-1-(4-methylphenyl)pyrazol-5-yl]-3-[5-(2-pyridin-4-ylethyl)-1,3-thiazol-2-yl]urea;1-[1-(4-methylphenyl)-3-(3-methylthietan-3-yl)pyrazol-5-yl]-3-[5-(2-pyridin-4-ylethyl)-1,3-thiazol-2-yl]urea has a molecular weight of 1901.48 g/mol, XLogP of 21.32, 26 rotatable bonds, 9 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[5-[2-(2-amino-4-pyridinyl)ethyl]-1,3-thiazol-2-yl]-3-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]urea;1-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-3-[5-(2-pyridin-4-ylethyl)-1,3-thiazol-2-yl]urea;1-[3-(3-methyloxetan-3-yl)-1-(4-methylphenyl)pyrazol-5-yl]-3-[5-(2-pyridin-4-ylethyl)-1,3-thiazol-2-yl]urea;1-[1-(4-methylphenyl)-3-(3-methylthietan-3-yl)pyrazol-5-yl]-3-[5-(2-pyridin-4-ylethyl)-1,3-thiazol-2-yl]urea is sourced from PubChem (CID 160504206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).