5-bromo-2-methyl-1,3-thiazole;4-[4-(2,4-dimethylimidazol-1-yl)-7-[[4-(2-methyl-1,3-thiazol-5-yl)piperazin-1-yl]methyl]thieno[3,2-d]pyrimidin-2-yl]morpholine;4-[4-(2,4-dimethylimidazol-1-yl)-7-(piperazin-1-ylmethyl)thieno[3,2-d]pyrimidin-2-yl]morpholine

C48H61BrN16O2S4 — CID 158623188

About 5-bromo-2-methyl-1,3-thiazole;4-[4-(2,4-dimethylimidazol-1-yl)-7-[[4-(2-methyl-1,3-thiazol-5-yl)piperazin-1-yl]methyl]thieno[3,2-d]pyrimidin-2-yl]morpholine;4-[4-(2,4-dimethylimidazol-1-yl)-7-(piperazin-1-ylmethyl)thieno[3,2-d]pyrimidin-2-yl]morpholine

5-bromo-2-methyl-1,3-thiazole;4-[4-(2,4-dimethylimidazol-1-yl)-7-[[4-(2-methyl-1,3-thiazol-5-yl)piperazin-1-yl]methyl]thieno[3,2-d]pyrimidin-2-yl]morpholine;4-[4-(2,4-dimethylimidazol-1-yl)-7-(piperazin-1-ylmethyl)thieno[3,2-d]pyrimidin-2-yl]morpholine (PubChem CID 158623188) has the molecular formula C48H61BrN16O2S4 and a molecular weight of 1102.30 g/mol. Its IUPAC name is 5-bromo-2-methyl-1,3-thiazole;4-[4-(2,4-dimethylimidazol-1-yl)-7-[[4-(2-methyl-1,3-thiazol-5-yl)piperazin-1-yl]methyl]thieno[3,2-d]pyrimidin-2-yl]morpholine;4-[4-(2,4-dimethylimidazol-1-yl)-7-(piperazin-1-ylmethyl)thieno[3,2-d]pyrimidin-2-yl]morpholine.

Molecular Properties

• Compound Name: 5-bromo-2-methyl-1,3-thiazole;4-[4-(2,4-dimethylimidazol-1-yl)-7-[[4-(2-methyl-1,3-thiazol-5-yl)piperazin-1-yl]methyl]thieno[3,2-d]pyrimidin-2-yl]morpholine;4-[4-(2,4-dimethylimidazol-1-yl)-7-(piperazin-1-ylmethyl)thieno[3,2-d]pyrimidin-2-yl]morpholine
• PubChem CID: 158623188
• Molecular Formula: C48H61BrN16O2S4
• Molecular Weight: 1102.30 g/mol
• Exact Mass: 1100.32
• IUPAC Name: 5-bromo-2-methyl-1,3-thiazole;4-[4-(2,4-dimethylimidazol-1-yl)-7-[[4-(2-methyl-1,3-thiazol-5-yl)piperazin-1-yl]methyl]thieno[3,2-d]pyrimidin-2-yl]morpholine;4-[4-(2,4-dimethylimidazol-1-yl)-7-(piperazin-1-ylmethyl)thieno[3,2-d]pyrimidin-2-yl]morpholine
• SMILES: Cc1cn(-c2nc(N3CCOCC3)nc3c(CN4CCN(c5cnc(C)s5)CC4)csc23)c(C)n1.Cc1cn(-c2nc(N3CCOCC3)nc3c(CN4CCNCC4)csc23)c(C)n1.Cc1ncc(Br)s1
• InChI: InChI=1S/C24H30N8OS2.C20H27N7OS.C4H4BrNS/c1-16-13-32(17(2)26-16)23-22-21(27-24(28-23)31-8-10-33-11-9-31)19(15-34-22)14-29-4-6-30(7-5-29)20-12-25-18(3)35-20;1-14-11-27(15(2)22-14)19-18-17(23-20(24-19)26-7-9-28-10-8-26)16(13-29-18)12-25-5-3-21-4-6-25;1-3-6-2-4(5)7-3/h12-13,15H,4-11,14H2,1-3H3;11,13,21H,3-10,12H2,1-2H3;2H,1H3
• InChIKey: HYGITVRFYZQJTQ-UHFFFAOYSA-N
• XLogP: 7.37
• TPSA: 159.67 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 22
• Rotatable Bonds: 9
• Heavy Atoms: 71
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1102.30
LogP ≤ 5	7.37
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	22

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-methyl-1,3-thiazole;4-[4-(2,4-dimethylimidazol-1-yl)-7-[[4-(2-methyl-1,3-thiazol-5-yl)piperazin-1-yl]methyl]thieno[3,2-d]pyrimidin-2-yl]morpholine;4-[4-(2,4-dimethylimidazol-1-yl)-7-(piperazin-1-ylmethyl)thieno[3,2-d]pyrimidin-2-yl]morpholine?

The IUPAC name of 5-bromo-2-methyl-1,3-thiazole;4-[4-(2,4-dimethylimidazol-1-yl)-7-[[4-(2-methyl-1,3-thiazol-5-yl)piperazin-1-yl]methyl]thieno[3,2-d]pyrimidin-2-yl]morpholine;4-[4-(2,4-dimethylimidazol-1-yl)-7-(piperazin-1-ylmethyl)thieno[3,2-d]pyrimidin-2-yl]morpholine (CID 158623188) is 5-bromo-2-methyl-1,3-thiazole;4-[4-(2,4-dimethylimidazol-1-yl)-7-[[4-(2-methyl-1,3-thiazol-5-yl)piperazin-1-yl]methyl]thieno[3,2-d]pyrimidin-2-yl]morpholine;4-[4-(2,4-dimethylimidazol-1-yl)-7-(piperazin-1-ylmethyl)thieno[3,2-d]pyrimidin-2-yl]morpholine.

What is the SMILES notation for 5-bromo-2-methyl-1,3-thiazole;4-[4-(2,4-dimethylimidazol-1-yl)-7-[[4-(2-methyl-1,3-thiazol-5-yl)piperazin-1-yl]methyl]thieno[3,2-d]pyrimidin-2-yl]morpholine;4-[4-(2,4-dimethylimidazol-1-yl)-7-(piperazin-1-ylmethyl)thieno[3,2-d]pyrimidin-2-yl]morpholine?

The canonical SMILES for 5-bromo-2-methyl-1,3-thiazole;4-[4-(2,4-dimethylimidazol-1-yl)-7-[[4-(2-methyl-1,3-thiazol-5-yl)piperazin-1-yl]methyl]thieno[3,2-d]pyrimidin-2-yl]morpholine;4-[4-(2,4-dimethylimidazol-1-yl)-7-(piperazin-1-ylmethyl)thieno[3,2-d]pyrimidin-2-yl]morpholine is Cc1cn(-c2nc(N3CCOCC3)nc3c(CN4CCN(c5cnc(C)s5)CC4)csc23)c(C)n1.Cc1cn(-c2nc(N3CCOCC3)nc3c(CN4CCNCC4)csc23)c(C)n1.Cc1ncc(Br)s1.

What is the InChIKey of 5-bromo-2-methyl-1,3-thiazole;4-[4-(2,4-dimethylimidazol-1-yl)-7-[[4-(2-methyl-1,3-thiazol-5-yl)piperazin-1-yl]methyl]thieno[3,2-d]pyrimidin-2-yl]morpholine;4-[4-(2,4-dimethylimidazol-1-yl)-7-(piperazin-1-ylmethyl)thieno[3,2-d]pyrimidin-2-yl]morpholine?

The InChIKey is HYGITVRFYZQJTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N8OS2.C20H27N7OS.C4H4BrNS/c1-16-13-32(17(2)26-16)23-22-21(27-24(28-23)31-8-10-33-11-9-31)19(15-34-22)14-29-4-6-30(7-5-29)20-12-25-18(3)35-20;1-14-11-27(15(2)22-14)19-18-17(23-20(24-19)26-7-9-28-10-8-26)16(13-29-18)12-25-5-3-21-4-6-25;1-3-6-2-4(5)7-3/h12-13,15H,4-11,14H2,1-3H3;11,13,21H,3-10,12H2,1-2H3;2H,1H3.

What are the key properties of 5-bromo-2-methyl-1,3-thiazole;4-[4-(2,4-dimethylimidazol-1-yl)-7-[[4-(2-methyl-1,3-thiazol-5-yl)piperazin-1-yl]methyl]thieno[3,2-d]pyrimidin-2-yl]morpholine;4-[4-(2,4-dimethylimidazol-1-yl)-7-(piperazin-1-ylmethyl)thieno[3,2-d]pyrimidin-2-yl]morpholine?

5-bromo-2-methyl-1,3-thiazole;4-[4-(2,4-dimethylimidazol-1-yl)-7-[[4-(2-methyl-1,3-thiazol-5-yl)piperazin-1-yl]methyl]thieno[3,2-d]pyrimidin-2-yl]morpholine;4-[4-(2,4-dimethylimidazol-1-yl)-7-(piperazin-1-ylmethyl)thieno[3,2-d]pyrimidin-2-yl]morpholine has a molecular weight of 1102.30 g/mol, XLogP of 7.37, 9 rotatable bonds, 1 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 5-bromo-2-methyl-1,3-thiazole;4-[4-(2,4-dimethylimidazol-1-yl)-7-[[4-(2-methyl-1,3-thiazol-5-yl)piperazin-1-yl]methyl]thieno[3,2-d]pyrimidin-2-yl]morpholine;4-[4-(2,4-dimethylimidazol-1-yl)-7-(piperazin-1-ylmethyl)thieno[3,2-d]pyrimidin-2-yl]morpholine is sourced from PubChem (CID 158623188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).