1-[5-[2-(2-amino-4-pyridinyl)ethyl]-1,3-thiazol-2-yl]-3-(5-tert-butyl-1H-pyrazol-3-yl)urea;N-[4-[2-[2-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]acetamide;N-[4-[2-[2-[(3-tert-butyl-1-propan-2-ylpyrazol-5-yl)carbamoylamino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]acetamide;N-[4-[2-[2-[(5-tert-butyl-1H-pyrazol-3-yl)carbamoylamino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]cyclopropanecarboxamide

C90H112N28O7S4 — CID 159431659

About 1-[5-[2-(2-amino-4-pyridinyl)ethyl]-1,3-thiazol-2-yl]-3-(5-tert-butyl-1H-pyrazol-3-yl)urea;N-[4-[2-[2-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]acetamide;N-[4-[2-[2-[(3-tert-butyl-1-propan-2-ylpyrazol-5-yl)carbamoylamino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]acetamide;N-[4-[2-[2-[(5-tert-butyl-1H-pyrazol-3-yl)carbamoylamino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]cyclopropanecarboxamide

1-[5-[2-(2-amino-4-pyridinyl)ethyl]-1,3-thiazol-2-yl]-3-(5-tert-butyl-1H-pyrazol-3-yl)urea;N-[4-[2-[2-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]acetamide;N-[4-[2-[2-[(3-tert-butyl-1-propan-2-ylpyrazol-5-yl)carbamoylamino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]acetamide;N-[4-[2-[2-[(5-tert-butyl-1H-pyrazol-3-yl)carbamoylamino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]cyclopropanecarboxamide (PubChem CID 159431659) has the molecular formula C90H112N28O7S4 and a molecular weight of 1826.34 g/mol. Its IUPAC name is 1-[5-[2-(2-amino-4-pyridinyl)ethyl]-1,3-thiazol-2-yl]-3-(5-tert-butyl-1H-pyrazol-3-yl)urea;N-[4-[2-[2-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]acetamide;N-[4-[2-[2-[(3-tert-butyl-1-propan-2-ylpyrazol-5-yl)carbamoylamino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]acetamide;N-[4-[2-[2-[(5-tert-butyl-1H-pyrazol-3-yl)carbamoylamino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]cyclopropanecarboxamide.

Molecular Properties

• Compound Name: 1-[5-[2-(2-amino-4-pyridinyl)ethyl]-1,3-thiazol-2-yl]-3-(5-tert-butyl-1H-pyrazol-3-yl)urea;N-[4-[2-[2-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]acetamide;N-[4-[2-[2-[(3-tert-butyl-1-propan-2-ylpyrazol-5-yl)carbamoylamino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]acetamide;N-[4-[2-[2-[(5-tert-butyl-1H-pyrazol-3-yl)carbamoylamino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]cyclopropanecarboxamide
• PubChem CID: 159431659
• Molecular Formula: C90H112N28O7S4
• Molecular Weight: 1826.34 g/mol
• Exact Mass: 1824.82
• IUPAC Name: 1-[5-[2-(2-amino-4-pyridinyl)ethyl]-1,3-thiazol-2-yl]-3-(5-tert-butyl-1H-pyrazol-3-yl)urea;N-[4-[2-[2-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]acetamide;N-[4-[2-[2-[(3-tert-butyl-1-propan-2-ylpyrazol-5-yl)carbamoylamino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]acetamide;N-[4-[2-[2-[(5-tert-butyl-1H-pyrazol-3-yl)carbamoylamino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]cyclopropanecarboxamide
• SMILES: CC(=O)Nc1cc(CCc2cnc(NC(=O)Nc3cc(C(C)(C)C)nn3-c3ccc(C)cc3)s2)ccn1.CC(=O)Nc1cc(CCc2cnc(NC(=O)Nc3cc(C(C)(C)C)nn3C(C)C)s2)ccn1.CC(C)(C)c1cc(NC(=O)Nc2ncc(CCc3ccnc(N)c3)s2)n[nH]1.CC(C)(C)c1cc(NC(=O)Nc2ncc(CCc3ccnc(NC(=O)C4CC4)c3)s2)n[nH]1
• InChI: InChI=1S/C27H31N7O2S.C23H31N7O2S.C22H27N7O2S.C18H23N7OS/c1-17-6-9-20(10-7-17)34-24(15-22(33-34)27(3,4)5)31-25(36)32-26-29-16-21(37-26)11-8-19-12-13-28-23(14-19)30-18(2)35;1-14(2)30-20(12-18(29-30)23(4,5)6)27-21(32)28-22-25-13-17(33-22)8-7-16-9-10-24-19(11-16)26-15(3)31;1-22(2,3)16-11-18(29-28-16)26-20(31)27-21-24-12-15(32-21)7-4-13-8-9-23-17(10-13)25-19(30)14-5-6-14;1-18(2,3)13-9-15(25-24-13)22-16(26)23-17-21-10-12(27-17)5-4-11-6-7-20-14(19)8-11/h6-7,9-10,12-16H,8,11H2,1-5H3,(H,28,30,35)(H2,29,31,32,36);9-14H,7-8H2,1-6H3,(H,24,26,31)(H2,25,27,28,32);8-12,14H,4-7H2,1-3H3,(H,23,25,30)(H3,24,26,27,28,29,31);6-10H,4-5H2,1-3H3,(H2,19,20)(H3,21,22,23,24,25,26)
• InChIKey: LRBDVCFCKWWGIL-UHFFFAOYSA-N
• XLogP: 18.62
• TPSA: 473.96 Ų
• H-Bond Donors: 14
• H-Bond Acceptors: 26
• Rotatable Bonds: 26
• Heavy Atoms: 129
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1826.34
LogP ≤ 5	18.62
H-Bond Donors ≤ 5	14
H-Bond Acceptors ≤ 10	26

Frequently Asked Questions

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

The IUPAC name of 1-[5-[2-(2-amino-4-pyridinyl)ethyl]-1,3-thiazol-2-yl]-3-(5-tert-butyl-1H-pyrazol-3-yl)urea;N-[4-[2-[2-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]acetamide;N-[4-[2-[2-[(3-tert-butyl-1-propan-2-ylpyrazol-5-yl)carbamoylamino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]acetamide;N-[4-[2-[2-[(5-tert-butyl-1H-pyrazol-3-yl)carbamoylamino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]cyclopropanecarboxamide (CID 159431659) is 1-[5-[2-(2-amino-4-pyridinyl)ethyl]-1,3-thiazol-2-yl]-3-(5-tert-butyl-1H-pyrazol-3-yl)urea;N-[4-[2-[2-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]acetamide;N-[4-[2-[2-[(3-tert-butyl-1-propan-2-ylpyrazol-5-yl)carbamoylamino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]acetamide;N-[4-[2-[2-[(5-tert-butyl-1H-pyrazol-3-yl)carbamoylamino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]cyclopropanecarboxamide.

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

The canonical SMILES for 1-[5-[2-(2-amino-4-pyridinyl)ethyl]-1,3-thiazol-2-yl]-3-(5-tert-butyl-1H-pyrazol-3-yl)urea;N-[4-[2-[2-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]acetamide;N-[4-[2-[2-[(3-tert-butyl-1-propan-2-ylpyrazol-5-yl)carbamoylamino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]acetamide;N-[4-[2-[2-[(5-tert-butyl-1H-pyrazol-3-yl)carbamoylamino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]cyclopropanecarboxamide is CC(=O)Nc1cc(CCc2cnc(NC(=O)Nc3cc(C(C)(C)C)nn3-c3ccc(C)cc3)s2)ccn1.CC(=O)Nc1cc(CCc2cnc(NC(=O)Nc3cc(C(C)(C)C)nn3C(C)C)s2)ccn1.CC(C)(C)c1cc(NC(=O)Nc2ncc(CCc3ccnc(N)c3)s2)n[nH]1.CC(C)(C)c1cc(NC(=O)Nc2ncc(CCc3ccnc(NC(=O)C4CC4)c3)s2)n[nH]1.

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

The InChIKey is LRBDVCFCKWWGIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31N7O2S.C23H31N7O2S.C22H27N7O2S.C18H23N7OS/c1-17-6-9-20(10-7-17)34-24(15-22(33-34)27(3,4)5)31-25(36)32-26-29-16-21(37-26)11-8-19-12-13-28-23(14-19)30-18(2)35;1-14(2)30-20(12-18(29-30)23(4,5)6)27-21(32)28-22-25-13-17(33-22)8-7-16-9-10-24-19(11-16)26-15(3)31;1-22(2,3)16-11-18(29-28-16)26-20(31)27-21-24-12-15(32-21)7-4-13-8-9-23-17(10-13)25-19(30)14-5-6-14;1-18(2,3)13-9-15(25-24-13)22-16(26)23-17-21-10-12(27-17)5-4-11-6-7-20-14(19)8-11/h6-7,9-10,12-16H,8,11H2,1-5H3,(H,28,30,35)(H2,29,31,32,36);9-14H,7-8H2,1-6H3,(H,24,26,31)(H2,25,27,28,32);8-12,14H,4-7H2,1-3H3,(H,23,25,30)(H3,24,26,27,28,29,31);6-10H,4-5H2,1-3H3,(H2,19,20)(H3,21,22,23,24,25,26).

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

1-[5-[2-(2-amino-4-pyridinyl)ethyl]-1,3-thiazol-2-yl]-3-(5-tert-butyl-1H-pyrazol-3-yl)urea;N-[4-[2-[2-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]acetamide;N-[4-[2-[2-[(3-tert-butyl-1-propan-2-ylpyrazol-5-yl)carbamoylamino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]acetamide;N-[4-[2-[2-[(5-tert-butyl-1H-pyrazol-3-yl)carbamoylamino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]cyclopropanecarboxamide has a molecular weight of 1826.34 g/mol, XLogP of 18.62, 26 rotatable bonds, 14 hydrogen bond donors, and 26 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-(5-tert-butyl-1H-pyrazol-3-yl)urea;N-[4-[2-[2-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]acetamide;N-[4-[2-[2-[(3-tert-butyl-1-propan-2-ylpyrazol-5-yl)carbamoylamino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]acetamide;N-[4-[2-[2-[(5-tert-butyl-1H-pyrazol-3-yl)carbamoylamino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]cyclopropanecarboxamide is sourced from PubChem (CID 159431659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).