1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[2-methyl-4-[2-[[2-methyl-6-(4-propylpiperazin-1-yl)pyrimidin-4-yl]amino]-1,3-thiazol-5-yl]phenyl]urea;bis(1-(5-cyclopropyl-1,2-oxazol-3-yl)-3-[2-methyl-4-[2-[[2-methyl-6-(4-propylpiperazin-1-yl)pyrimidin-4-yl]amino]-1,3-thiazol-5-yl]phenyl]urea);1-(5-ethyl-1,2-oxazol-3-yl)-3-[2-methyl-4-[2-[[2-methyl-6-(4-propylpiperazin-1-yl)pyrimidin-4-yl]amino]-1,3-thiazol-5-yl]phenyl]urea;bis(1-(5-ethyl-1,2-oxazol-3-yl)-3-[4-[2-[[2-methyl-6-(4-propylpiperazin-1-yl)pyrimidin-4-yl]amino]-1,3-thiazol-5-yl]phenyl]urea)

C170H210N54O12S6 — CID 158681204

About 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[2-methyl-4-[2-[[2-methyl-6-(4-propylpiperazin-1-yl)pyrimidin-4-yl]amino]-1,3-thiazol-5-yl]phenyl]urea;bis(1-(5-cyclopropyl-1,2-oxazol-3-yl)-3-[2-methyl-4-[2-[[2-methyl-6-(4-propylpiperazin-1-yl)pyrimidin-4-yl]amino]-1,3-thiazol-5-yl]phenyl]urea);1-(5-ethyl-1,2-oxazol-3-yl)-3-[2-methyl-4-[2-[[2-methyl-6-(4-propylpiperazin-1-yl)pyrimidin-4-yl]amino]-1,3-thiazol-5-yl]phenyl]urea;bis(1-(5-ethyl-1,2-oxazol-3-yl)-3-[4-[2-[[2-methyl-6-(4-propylpiperazin-1-yl)pyrimidin-4-yl]amino]-1,3-thiazol-5-yl]phenyl]urea)

1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[2-methyl-4-[2-[[2-methyl-6-(4-propylpiperazin-1-yl)pyrimidin-4-yl]amino]-1,3-thiazol-5-yl]phenyl]urea;bis(1-(5-cyclopropyl-1,2-oxazol-3-yl)-3-[2-methyl-4-[2-[[2-methyl-6-(4-propylpiperazin-1-yl)pyrimidin-4-yl]amino]-1,3-thiazol-5-yl]phenyl]urea);1-(5-ethyl-1,2-oxazol-3-yl)-3-[2-methyl-4-[2-[[2-methyl-6-(4-propylpiperazin-1-yl)pyrimidin-4-yl]amino]-1,3-thiazol-5-yl]phenyl]urea;bis(1-(5-ethyl-1,2-oxazol-3-yl)-3-[4-[2-[[2-methyl-6-(4-propylpiperazin-1-yl)pyrimidin-4-yl]amino]-1,3-thiazol-5-yl]phenyl]urea) (PubChem CID 158681204) has the molecular formula C170H210N54O12S6 and a molecular weight of 3394.32 g/mol. Its IUPAC name is 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[2-methyl-4-[2-[[2-methyl-6-(4-propylpiperazin-1-yl)pyrimidin-4-yl]amino]-1,3-thiazol-5-yl]phenyl]urea;bis(1-(5-cyclopropyl-1,2-oxazol-3-yl)-3-[2-methyl-4-[2-[[2-methyl-6-(4-propylpiperazin-1-yl)pyrimidin-4-yl]amino]-1,3-thiazol-5-yl]phenyl]urea);1-(5-ethyl-1,2-oxazol-3-yl)-3-[2-methyl-4-[2-[[2-methyl-6-(4-propylpiperazin-1-yl)pyrimidin-4-yl]amino]-1,3-thiazol-5-yl]phenyl]urea;bis(1-(5-ethyl-1,2-oxazol-3-yl)-3-[4-[2-[[2-methyl-6-(4-propylpiperazin-1-yl)pyrimidin-4-yl]amino]-1,3-thiazol-5-yl]phenyl]urea).

Molecular Properties

• Compound Name: 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[2-methyl-4-[2-[[2-methyl-6-(4-propylpiperazin-1-yl)pyrimidin-4-yl]amino]-1,3-thiazol-5-yl]phenyl]urea;bis(1-(5-cyclopropyl-1,2-oxazol-3-yl)-3-[2-methyl-4-[2-[[2-methyl-6-(4-propylpiperazin-1-yl)pyrimidin-4-yl]amino]-1,3-thiazol-5-yl]phenyl]urea);1-(5-ethyl-1,2-oxazol-3-yl)-3-[2-methyl-4-[2-[[2-methyl-6-(4-propylpiperazin-1-yl)pyrimidin-4-yl]amino]-1,3-thiazol-5-yl]phenyl]urea;bis(1-(5-ethyl-1,2-oxazol-3-yl)-3-[4-[2-[[2-methyl-6-(4-propylpiperazin-1-yl)pyrimidin-4-yl]amino]-1,3-thiazol-5-yl]phenyl]urea)
• PubChem CID: 158681204
• Molecular Formula: C170H210N54O12S6
• Molecular Weight: 3394.32 g/mol
• Exact Mass: 3391.58
• IUPAC Name: 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[2-methyl-4-[2-[[2-methyl-6-(4-propylpiperazin-1-yl)pyrimidin-4-yl]amino]-1,3-thiazol-5-yl]phenyl]urea;bis(1-(5-cyclopropyl-1,2-oxazol-3-yl)-3-[2-methyl-4-[2-[[2-methyl-6-(4-propylpiperazin-1-yl)pyrimidin-4-yl]amino]-1,3-thiazol-5-yl]phenyl]urea);1-(5-ethyl-1,2-oxazol-3-yl)-3-[2-methyl-4-[2-[[2-methyl-6-(4-propylpiperazin-1-yl)pyrimidin-4-yl]amino]-1,3-thiazol-5-yl]phenyl]urea;bis(1-(5-ethyl-1,2-oxazol-3-yl)-3-[4-[2-[[2-methyl-6-(4-propylpiperazin-1-yl)pyrimidin-4-yl]amino]-1,3-thiazol-5-yl]phenyl]urea)
• SMILES: CCCN1CCN(c2cc(Nc3ncc(-c4ccc(NC(=O)Nc5cc(C(C)(C)C)on5)c(C)c4)s3)nc(C)n2)CC1.CCCN1CCN(c2cc(Nc3ncc(-c4ccc(NC(=O)Nc5cc(C6CC6)on5)c(C)c4)s3)nc(C)n2)CC1.CCCN1CCN(c2cc(Nc3ncc(-c4ccc(NC(=O)Nc5cc(C6CC6)on5)c(C)c4)s3)nc(C)n2)CC1.CCCN1CCN(c2cc(Nc3ncc(-c4ccc(NC(=O)Nc5cc(CC)on5)c(C)c4)s3)nc(C)n2)CC1.CCCN1CCN(c2cc(Nc3ncc(-c4ccc(NC(=O)Nc5cc(CC)on5)cc4)s3)nc(C)n2)CC1.CCCN1CCN(c2cc(Nc3ncc(-c4ccc(NC(=O)Nc5cc(CC)on5)cc4)s3)nc(C)n2)CC1
• InChI: InChI=1S/C30H39N9O2S.2C29H35N9O2S.C28H35N9O2S.2C27H33N9O2S/c1-7-10-38-11-13-39(14-12-38)27-17-25(32-20(3)33-27)36-29-31-18-23(42-29)21-8-9-22(19(2)15-21)34-28(40)35-26-16-24(41-37-26)30(4,5)6;2*1-4-9-37-10-12-38(13-11-37)27-16-25(31-19(3)32-27)35-29-30-17-24(41-29)21-7-8-22(18(2)14-21)33-28(39)34-26-15-23(40-36-26)20-5-6-20;1-5-9-36-10-12-37(13-11-36)26-16-24(30-19(4)31-26)34-28-29-17-23(40-28)20-7-8-22(18(3)14-20)32-27(38)33-25-15-21(6-2)39-35-25;2*1-4-10-35-11-13-36(14-12-35)25-16-23(29-18(3)30-25)33-27-28-17-22(39-27)19-6-8-20(9-7-19)31-26(37)32-24-15-21(5-2)38-34-24/h8-9,15-18H,7,10-14H2,1-6H3,(H,31,32,33,36)(H2,34,35,37,40);2*7-8,14-17,20H,4-6,9-13H2,1-3H3,(H,30,31,32,35)(H2,33,34,36,39);7-8,14-17H,5-6,9-13H2,1-4H3,(H,29,30,31,34)(H2,32,33,35,38);2*6-9,15-17H,4-5,10-14H2,1-3H3,(H,28,29,30,33)(H2,31,32,34,37)
• InChIKey: IFDNZNDAAVEWCE-UHFFFAOYSA-N
• XLogP: 34.87
• TPSA: 746.04 Ų
• H-Bond Donors: 18
• H-Bond Acceptors: 60
• Rotatable Bonds: 53
• Heavy Atoms: 242
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3394.32
LogP ≤ 5	34.87
H-Bond Donors ≤ 5	18
H-Bond Acceptors ≤ 10	60

Frequently Asked Questions

What is the IUPAC name of 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[2-methyl-4-[2-[[2-methyl-6-(4-propylpiperazin-1-yl)pyrimidin-4-yl]amino]-1,3-thiazol-5-yl]phenyl]urea;bis(1-(5-cyclopropyl-1,2-oxazol-3-yl)-3-[2-methyl-4-[2-[[2-methyl-6-(4-propylpiperazin-1-yl)pyrimidin-4-yl]amino]-1,3-thiazol-5-yl]phenyl]urea);1-(5-ethyl-1,2-oxazol-3-yl)-3-[2-methyl-4-[2-[[2-methyl-6-(4-propylpiperazin-1-yl)pyrimidin-4-yl]amino]-1,3-thiazol-5-yl]phenyl]urea;bis(1-(5-ethyl-1,2-oxazol-3-yl)-3-[4-[2-[[2-methyl-6-(4-propylpiperazin-1-yl)pyrimidin-4-yl]amino]-1,3-thiazol-5-yl]phenyl]urea)?

The IUPAC name of 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[2-methyl-4-[2-[[2-methyl-6-(4-propylpiperazin-1-yl)pyrimidin-4-yl]amino]-1,3-thiazol-5-yl]phenyl]urea;bis(1-(5-cyclopropyl-1,2-oxazol-3-yl)-3-[2-methyl-4-[2-[[2-methyl-6-(4-propylpiperazin-1-yl)pyrimidin-4-yl]amino]-1,3-thiazol-5-yl]phenyl]urea);1-(5-ethyl-1,2-oxazol-3-yl)-3-[2-methyl-4-[2-[[2-methyl-6-(4-propylpiperazin-1-yl)pyrimidin-4-yl]amino]-1,3-thiazol-5-yl]phenyl]urea;bis(1-(5-ethyl-1,2-oxazol-3-yl)-3-[4-[2-[[2-methyl-6-(4-propylpiperazin-1-yl)pyrimidin-4-yl]amino]-1,3-thiazol-5-yl]phenyl]urea) (CID 158681204) is 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[2-methyl-4-[2-[[2-methyl-6-(4-propylpiperazin-1-yl)pyrimidin-4-yl]amino]-1,3-thiazol-5-yl]phenyl]urea;bis(1-(5-cyclopropyl-1,2-oxazol-3-yl)-3-[2-methyl-4-[2-[[2-methyl-6-(4-propylpiperazin-1-yl)pyrimidin-4-yl]amino]-1,3-thiazol-5-yl]phenyl]urea);1-(5-ethyl-1,2-oxazol-3-yl)-3-[2-methyl-4-[2-[[2-methyl-6-(4-propylpiperazin-1-yl)pyrimidin-4-yl]amino]-1,3-thiazol-5-yl]phenyl]urea;bis(1-(5-ethyl-1,2-oxazol-3-yl)-3-[4-[2-[[2-methyl-6-(4-propylpiperazin-1-yl)pyrimidin-4-yl]amino]-1,3-thiazol-5-yl]phenyl]urea).

What is the SMILES notation for 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[2-methyl-4-[2-[[2-methyl-6-(4-propylpiperazin-1-yl)pyrimidin-4-yl]amino]-1,3-thiazol-5-yl]phenyl]urea;bis(1-(5-cyclopropyl-1,2-oxazol-3-yl)-3-[2-methyl-4-[2-[[2-methyl-6-(4-propylpiperazin-1-yl)pyrimidin-4-yl]amino]-1,3-thiazol-5-yl]phenyl]urea);1-(5-ethyl-1,2-oxazol-3-yl)-3-[2-methyl-4-[2-[[2-methyl-6-(4-propylpiperazin-1-yl)pyrimidin-4-yl]amino]-1,3-thiazol-5-yl]phenyl]urea;bis(1-(5-ethyl-1,2-oxazol-3-yl)-3-[4-[2-[[2-methyl-6-(4-propylpiperazin-1-yl)pyrimidin-4-yl]amino]-1,3-thiazol-5-yl]phenyl]urea)?

The canonical SMILES for 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[2-methyl-4-[2-[[2-methyl-6-(4-propylpiperazin-1-yl)pyrimidin-4-yl]amino]-1,3-thiazol-5-yl]phenyl]urea;bis(1-(5-cyclopropyl-1,2-oxazol-3-yl)-3-[2-methyl-4-[2-[[2-methyl-6-(4-propylpiperazin-1-yl)pyrimidin-4-yl]amino]-1,3-thiazol-5-yl]phenyl]urea);1-(5-ethyl-1,2-oxazol-3-yl)-3-[2-methyl-4-[2-[[2-methyl-6-(4-propylpiperazin-1-yl)pyrimidin-4-yl]amino]-1,3-thiazol-5-yl]phenyl]urea;bis(1-(5-ethyl-1,2-oxazol-3-yl)-3-[4-[2-[[2-methyl-6-(4-propylpiperazin-1-yl)pyrimidin-4-yl]amino]-1,3-thiazol-5-yl]phenyl]urea) is CCCN1CCN(c2cc(Nc3ncc(-c4ccc(NC(=O)Nc5cc(C(C)(C)C)on5)c(C)c4)s3)nc(C)n2)CC1.CCCN1CCN(c2cc(Nc3ncc(-c4ccc(NC(=O)Nc5cc(C6CC6)on5)c(C)c4)s3)nc(C)n2)CC1.CCCN1CCN(c2cc(Nc3ncc(-c4ccc(NC(=O)Nc5cc(C6CC6)on5)c(C)c4)s3)nc(C)n2)CC1.CCCN1CCN(c2cc(Nc3ncc(-c4ccc(NC(=O)Nc5cc(CC)on5)c(C)c4)s3)nc(C)n2)CC1.CCCN1CCN(c2cc(Nc3ncc(-c4ccc(NC(=O)Nc5cc(CC)on5)cc4)s3)nc(C)n2)CC1.CCCN1CCN(c2cc(Nc3ncc(-c4ccc(NC(=O)Nc5cc(CC)on5)cc4)s3)nc(C)n2)CC1.

What is the InChIKey of 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[2-methyl-4-[2-[[2-methyl-6-(4-propylpiperazin-1-yl)pyrimidin-4-yl]amino]-1,3-thiazol-5-yl]phenyl]urea;bis(1-(5-cyclopropyl-1,2-oxazol-3-yl)-3-[2-methyl-4-[2-[[2-methyl-6-(4-propylpiperazin-1-yl)pyrimidin-4-yl]amino]-1,3-thiazol-5-yl]phenyl]urea);1-(5-ethyl-1,2-oxazol-3-yl)-3-[2-methyl-4-[2-[[2-methyl-6-(4-propylpiperazin-1-yl)pyrimidin-4-yl]amino]-1,3-thiazol-5-yl]phenyl]urea;bis(1-(5-ethyl-1,2-oxazol-3-yl)-3-[4-[2-[[2-methyl-6-(4-propylpiperazin-1-yl)pyrimidin-4-yl]amino]-1,3-thiazol-5-yl]phenyl]urea)?

The InChIKey is IFDNZNDAAVEWCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H39N9O2S.2C29H35N9O2S.C28H35N9O2S.2C27H33N9O2S/c1-7-10-38-11-13-39(14-12-38)27-17-25(32-20(3)33-27)36-29-31-18-23(42-29)21-8-9-22(19(2)15-21)34-28(40)35-26-16-24(41-37-26)30(4,5)6;2*1-4-9-37-10-12-38(13-11-37)27-16-25(31-19(3)32-27)35-29-30-17-24(41-29)21-7-8-22(18(2)14-21)33-28(39)34-26-15-23(40-36-26)20-5-6-20;1-5-9-36-10-12-37(13-11-36)26-16-24(30-19(4)31-26)34-28-29-17-23(40-28)20-7-8-22(18(3)14-20)32-27(38)33-25-15-21(6-2)39-35-25;2*1-4-10-35-11-13-36(14-12-35)25-16-23(29-18(3)30-25)33-27-28-17-22(39-27)19-6-8-20(9-7-19)31-26(37)32-24-15-21(5-2)38-34-24/h8-9,15-18H,7,10-14H2,1-6H3,(H,31,32,33,36)(H2,34,35,37,40);2*7-8,14-17,20H,4-6,9-13H2,1-3H3,(H,30,31,32,35)(H2,33,34,36,39);7-8,14-17H,5-6,9-13H2,1-4H3,(H,29,30,31,34)(H2,32,33,35,38);2*6-9,15-17H,4-5,10-14H2,1-3H3,(H,28,29,30,33)(H2,31,32,34,37).

What are the key properties of 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[2-methyl-4-[2-[[2-methyl-6-(4-propylpiperazin-1-yl)pyrimidin-4-yl]amino]-1,3-thiazol-5-yl]phenyl]urea;bis(1-(5-cyclopropyl-1,2-oxazol-3-yl)-3-[2-methyl-4-[2-[[2-methyl-6-(4-propylpiperazin-1-yl)pyrimidin-4-yl]amino]-1,3-thiazol-5-yl]phenyl]urea);1-(5-ethyl-1,2-oxazol-3-yl)-3-[2-methyl-4-[2-[[2-methyl-6-(4-propylpiperazin-1-yl)pyrimidin-4-yl]amino]-1,3-thiazol-5-yl]phenyl]urea;bis(1-(5-ethyl-1,2-oxazol-3-yl)-3-[4-[2-[[2-methyl-6-(4-propylpiperazin-1-yl)pyrimidin-4-yl]amino]-1,3-thiazol-5-yl]phenyl]urea)?

1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[2-methyl-4-[2-[[2-methyl-6-(4-propylpiperazin-1-yl)pyrimidin-4-yl]amino]-1,3-thiazol-5-yl]phenyl]urea;bis(1-(5-cyclopropyl-1,2-oxazol-3-yl)-3-[2-methyl-4-[2-[[2-methyl-6-(4-propylpiperazin-1-yl)pyrimidin-4-yl]amino]-1,3-thiazol-5-yl]phenyl]urea);1-(5-ethyl-1,2-oxazol-3-yl)-3-[2-methyl-4-[2-[[2-methyl-6-(4-propylpiperazin-1-yl)pyrimidin-4-yl]amino]-1,3-thiazol-5-yl]phenyl]urea;bis(1-(5-ethyl-1,2-oxazol-3-yl)-3-[4-[2-[[2-methyl-6-(4-propylpiperazin-1-yl)pyrimidin-4-yl]amino]-1,3-thiazol-5-yl]phenyl]urea) has a molecular weight of 3394.32 g/mol, XLogP of 34.87, 53 rotatable bonds, 18 hydrogen bond donors, and 60 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[2-methyl-4-[2-[[2-methyl-6-(4-propylpiperazin-1-yl)pyrimidin-4-yl]amino]-1,3-thiazol-5-yl]phenyl]urea;bis(1-(5-cyclopropyl-1,2-oxazol-3-yl)-3-[2-methyl-4-[2-[[2-methyl-6-(4-propylpiperazin-1-yl)pyrimidin-4-yl]amino]-1,3-thiazol-5-yl]phenyl]urea);1-(5-ethyl-1,2-oxazol-3-yl)-3-[2-methyl-4-[2-[[2-methyl-6-(4-propylpiperazin-1-yl)pyrimidin-4-yl]amino]-1,3-thiazol-5-yl]phenyl]urea;bis(1-(5-ethyl-1,2-oxazol-3-yl)-3-[4-[2-[[2-methyl-6-(4-propylpiperazin-1-yl)pyrimidin-4-yl]amino]-1,3-thiazol-5-yl]phenyl]urea) is sourced from PubChem (CID 158681204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).