N-[4-[2-[2-[[3-tert-butyl-1-(cyclopropylmethyl)pyrazol-5-yl]carbamoylamino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]cyclopropanecarboxamide;N-[4-[2-[2-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]pyrrolidine-1-carboxamide;ethyl N-[4-[2-[2-[[3-tert-butyl-1-(cyclopropylmethyl)pyrazol-5-yl]carbamoylamino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]carbamate;ethyl N-[4-[2-[2-[[2-(3-tert-butyl-1-methylpyrazol-5-yl)acetyl]amino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]carbamate

C104H132N28O10S4 — CID 159009421

About N-[4-[2-[2-[[3-tert-butyl-1-(cyclopropylmethyl)pyrazol-5-yl]carbamoylamino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]cyclopropanecarboxamide;N-[4-[2-[2-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]pyrrolidine-1-carboxamide;ethyl N-[4-[2-[2-[[3-tert-butyl-1-(cyclopropylmethyl)pyrazol-5-yl]carbamoylamino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]carbamate;ethyl N-[4-[2-[2-[[2-(3-tert-butyl-1-methylpyrazol-5-yl)acetyl]amino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]carbamate

N-[4-[2-[2-[[3-tert-butyl-1-(cyclopropylmethyl)pyrazol-5-yl]carbamoylamino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]cyclopropanecarboxamide;N-[4-[2-[2-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]pyrrolidine-1-carboxamide;ethyl N-[4-[2-[2-[[3-tert-butyl-1-(cyclopropylmethyl)pyrazol-5-yl]carbamoylamino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]carbamate;ethyl N-[4-[2-[2-[[2-(3-tert-butyl-1-methylpyrazol-5-yl)acetyl]amino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]carbamate (PubChem CID 159009421) has the molecular formula C104H132N28O10S4 and a molecular weight of 2062.65 g/mol. Its IUPAC name is N-[4-[2-[2-[[3-tert-butyl-1-(cyclopropylmethyl)pyrazol-5-yl]carbamoylamino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]cyclopropanecarboxamide;N-[4-[2-[2-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]pyrrolidine-1-carboxamide;ethyl N-[4-[2-[2-[[3-tert-butyl-1-(cyclopropylmethyl)pyrazol-5-yl]carbamoylamino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]carbamate;ethyl N-[4-[2-[2-[[2-(3-tert-butyl-1-methylpyrazol-5-yl)acetyl]amino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]carbamate.

Molecular Properties

• Compound Name: N-[4-[2-[2-[[3-tert-butyl-1-(cyclopropylmethyl)pyrazol-5-yl]carbamoylamino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]cyclopropanecarboxamide;N-[4-[2-[2-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]pyrrolidine-1-carboxamide;ethyl N-[4-[2-[2-[[3-tert-butyl-1-(cyclopropylmethyl)pyrazol-5-yl]carbamoylamino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]carbamate;ethyl N-[4-[2-[2-[[2-(3-tert-butyl-1-methylpyrazol-5-yl)acetyl]amino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]carbamate
• PubChem CID: 159009421
• Molecular Formula: C104H132N28O10S4
• Molecular Weight: 2062.65 g/mol
• Exact Mass: 2060.96
• IUPAC Name: N-[4-[2-[2-[[3-tert-butyl-1-(cyclopropylmethyl)pyrazol-5-yl]carbamoylamino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]cyclopropanecarboxamide;N-[4-[2-[2-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]pyrrolidine-1-carboxamide;ethyl N-[4-[2-[2-[[3-tert-butyl-1-(cyclopropylmethyl)pyrazol-5-yl]carbamoylamino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]carbamate;ethyl N-[4-[2-[2-[[2-(3-tert-butyl-1-methylpyrazol-5-yl)acetyl]amino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]carbamate
• SMILES: CC(C)(C)c1cc(NC(=O)Nc2ncc(CCc3ccnc(NC(=O)C4CC4)c3)s2)n(CC2CC2)n1.CCOC(=O)Nc1cc(CCc2cnc(NC(=O)Cc3cc(C(C)(C)C)nn3C)s2)ccn1.CCOC(=O)Nc1cc(CCc2cnc(NC(=O)Nc3cc(C(C)(C)C)nn3CC3CC3)s2)ccn1.Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ncc(CCc3ccnc(NC(=O)N4CCCC4)c3)s2)cc1
• InChI: InChI=1S/C30H36N8O2S.C26H33N7O2S.C25H33N7O3S.C23H30N6O3S/c1-20-7-10-22(11-8-20)38-26(18-24(36-38)30(2,3)4)34-27(39)35-28-32-19-23(41-28)12-9-21-13-14-31-25(17-21)33-29(40)37-15-5-6-16-37;1-26(2,3)20-13-22(33(32-20)15-17-4-5-17)30-24(35)31-25-28-14-19(36-25)9-6-16-10-11-27-21(12-16)29-23(34)18-7-8-18;1-5-35-24(34)28-20-12-16(10-11-26-20)8-9-18-14-27-23(36-18)30-22(33)29-21-13-19(25(2,3)4)31-32(21)15-17-6-7-17;1-6-32-22(31)26-19-11-15(9-10-24-19)7-8-17-14-25-21(33-17)27-20(30)13-16-12-18(23(2,3)4)28-29(16)5/h7-8,10-11,13-14,17-19H,5-6,9,12,15-16H2,1-4H3,(H,31,33,40)(H2,32,34,35,39);10-14,17-18H,4-9,15H2,1-3H3,(H,27,29,34)(H2,28,30,31,35);10-14,17H,5-9,15H2,1-4H3,(H,26,28,34)(H2,27,29,30,33);9-12,14H,6-8,13H2,1-5H3,(H,24,26,31)(H,25,27,30)
• InChIKey: JSIAYZDIXDGJIZ-UHFFFAOYSA-N
• XLogP: 21.15
• TPSA: 464.99 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 30
• Rotatable Bonds: 33
• Heavy Atoms: 146
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2062.65
LogP ≤ 5	21.15
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	30

Frequently Asked Questions

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

The IUPAC name of N-[4-[2-[2-[[3-tert-butyl-1-(cyclopropylmethyl)pyrazol-5-yl]carbamoylamino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]cyclopropanecarboxamide;N-[4-[2-[2-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]pyrrolidine-1-carboxamide;ethyl N-[4-[2-[2-[[3-tert-butyl-1-(cyclopropylmethyl)pyrazol-5-yl]carbamoylamino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]carbamate;ethyl N-[4-[2-[2-[[2-(3-tert-butyl-1-methylpyrazol-5-yl)acetyl]amino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]carbamate (CID 159009421) is N-[4-[2-[2-[[3-tert-butyl-1-(cyclopropylmethyl)pyrazol-5-yl]carbamoylamino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]cyclopropanecarboxamide;N-[4-[2-[2-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]pyrrolidine-1-carboxamide;ethyl N-[4-[2-[2-[[3-tert-butyl-1-(cyclopropylmethyl)pyrazol-5-yl]carbamoylamino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]carbamate;ethyl N-[4-[2-[2-[[2-(3-tert-butyl-1-methylpyrazol-5-yl)acetyl]amino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]carbamate.

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

The canonical SMILES for N-[4-[2-[2-[[3-tert-butyl-1-(cyclopropylmethyl)pyrazol-5-yl]carbamoylamino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]cyclopropanecarboxamide;N-[4-[2-[2-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]pyrrolidine-1-carboxamide;ethyl N-[4-[2-[2-[[3-tert-butyl-1-(cyclopropylmethyl)pyrazol-5-yl]carbamoylamino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]carbamate;ethyl N-[4-[2-[2-[[2-(3-tert-butyl-1-methylpyrazol-5-yl)acetyl]amino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]carbamate is CC(C)(C)c1cc(NC(=O)Nc2ncc(CCc3ccnc(NC(=O)C4CC4)c3)s2)n(CC2CC2)n1.CCOC(=O)Nc1cc(CCc2cnc(NC(=O)Cc3cc(C(C)(C)C)nn3C)s2)ccn1.CCOC(=O)Nc1cc(CCc2cnc(NC(=O)Nc3cc(C(C)(C)C)nn3CC3CC3)s2)ccn1.Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ncc(CCc3ccnc(NC(=O)N4CCCC4)c3)s2)cc1.

What is the InChIKey of N-[4-[2-[2-[[3-tert-butyl-1-(cyclopropylmethyl)pyrazol-5-yl]carbamoylamino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]cyclopropanecarboxamide;N-[4-[2-[2-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]pyrrolidine-1-carboxamide;ethyl N-[4-[2-[2-[[3-tert-butyl-1-(cyclopropylmethyl)pyrazol-5-yl]carbamoylamino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]carbamate;ethyl N-[4-[2-[2-[[2-(3-tert-butyl-1-methylpyrazol-5-yl)acetyl]amino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]carbamate?

The InChIKey is JSIAYZDIXDGJIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H36N8O2S.C26H33N7O2S.C25H33N7O3S.C23H30N6O3S/c1-20-7-10-22(11-8-20)38-26(18-24(36-38)30(2,3)4)34-27(39)35-28-32-19-23(41-28)12-9-21-13-14-31-25(17-21)33-29(40)37-15-5-6-16-37;1-26(2,3)20-13-22(33(32-20)15-17-4-5-17)30-24(35)31-25-28-14-19(36-25)9-6-16-10-11-27-21(12-16)29-23(34)18-7-8-18;1-5-35-24(34)28-20-12-16(10-11-26-20)8-9-18-14-27-23(36-18)30-22(33)29-21-13-19(25(2,3)4)31-32(21)15-17-6-7-17;1-6-32-22(31)26-19-11-15(9-10-24-19)7-8-17-14-25-21(33-17)27-20(30)13-16-12-18(23(2,3)4)28-29(16)5/h7-8,10-11,13-14,17-19H,5-6,9,12,15-16H2,1-4H3,(H,31,33,40)(H2,32,34,35,39);10-14,17-18H,4-9,15H2,1-3H3,(H,27,29,34)(H2,28,30,31,35);10-14,17H,5-9,15H2,1-4H3,(H,26,28,34)(H2,27,29,30,33);9-12,14H,6-8,13H2,1-5H3,(H,24,26,31)(H,25,27,30).

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

N-[4-[2-[2-[[3-tert-butyl-1-(cyclopropylmethyl)pyrazol-5-yl]carbamoylamino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]cyclopropanecarboxamide;N-[4-[2-[2-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]pyrrolidine-1-carboxamide;ethyl N-[4-[2-[2-[[3-tert-butyl-1-(cyclopropylmethyl)pyrazol-5-yl]carbamoylamino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]carbamate;ethyl N-[4-[2-[2-[[2-(3-tert-butyl-1-methylpyrazol-5-yl)acetyl]amino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]carbamate has a molecular weight of 2062.65 g/mol, XLogP of 21.15, 33 rotatable bonds, 11 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[2-[2-[[3-tert-butyl-1-(cyclopropylmethyl)pyrazol-5-yl]carbamoylamino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]cyclopropanecarboxamide;N-[4-[2-[2-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]pyrrolidine-1-carboxamide;ethyl N-[4-[2-[2-[[3-tert-butyl-1-(cyclopropylmethyl)pyrazol-5-yl]carbamoylamino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]carbamate;ethyl N-[4-[2-[2-[[2-(3-tert-butyl-1-methylpyrazol-5-yl)acetyl]amino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]carbamate is sourced from PubChem (CID 159009421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).