tert-butyl 4-aminopiperidine-1-carboxylate;tert-butyl 4-[[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]pyrimidin-2-yl]amino]piperidine-1-carboxylate;6-(4-fluorophenyl)-5-(2-methylsulfonylpyrimidin-4-yl)imidazo[2,1-b][1,3]thiazole;methane

C52H62F2N12O6S3 — CID 157487831

About tert-butyl 4-aminopiperidine-1-carboxylate;tert-butyl 4-[[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]pyrimidin-2-yl]amino]piperidine-1-carboxylate;6-(4-fluorophenyl)-5-(2-methylsulfonylpyrimidin-4-yl)imidazo[2,1-b][1,3]thiazole;methane

tert-butyl 4-aminopiperidine-1-carboxylate;tert-butyl 4-[[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]pyrimidin-2-yl]amino]piperidine-1-carboxylate;6-(4-fluorophenyl)-5-(2-methylsulfonylpyrimidin-4-yl)imidazo[2,1-b][1,3]thiazole;methane (PubChem CID 157487831) has the molecular formula C52H62F2N12O6S3 and a molecular weight of 1085.34 g/mol. Its IUPAC name is tert-butyl 4-aminopiperidine-1-carboxylate;tert-butyl 4-[[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]pyrimidin-2-yl]amino]piperidine-1-carboxylate;6-(4-fluorophenyl)-5-(2-methylsulfonylpyrimidin-4-yl)imidazo[2,1-b][1,3]thiazole;methane.

Molecular Properties

• Compound Name: tert-butyl 4-aminopiperidine-1-carboxylate;tert-butyl 4-[[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]pyrimidin-2-yl]amino]piperidine-1-carboxylate;6-(4-fluorophenyl)-5-(2-methylsulfonylpyrimidin-4-yl)imidazo[2,1-b][1,3]thiazole;methane
• PubChem CID: 157487831
• Molecular Formula: C52H62F2N12O6S3
• Molecular Weight: 1085.34 g/mol
• Exact Mass: 1084.40
• IUPAC Name: tert-butyl 4-aminopiperidine-1-carboxylate;tert-butyl 4-[[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]pyrimidin-2-yl]amino]piperidine-1-carboxylate;6-(4-fluorophenyl)-5-(2-methylsulfonylpyrimidin-4-yl)imidazo[2,1-b][1,3]thiazole;methane
• SMILES: C.CC(C)(C)OC(=O)N1CCC(N)CC1.CC(C)(C)OC(=O)N1CCC(Nc2nccc(-c3c(-c4ccc(F)cc4)nc4sccn34)n2)CC1.CS(=O)(=O)c1nccc(-c2c(-c3ccc(F)cc3)nc3sccn23)n1
• InChI: InChI=1S/C25H27FN6O2S.C16H11FN4O2S2.C10H20N2O2.CH4/c1-25(2,3)34-24(33)31-12-9-18(10-13-31)28-22-27-11-8-19(29-22)21-20(16-4-6-17(26)7-5-16)30-23-32(21)14-15-35-23;1-25(22,23)15-18-7-6-12(19-15)14-13(10-2-4-11(17)5-3-10)20-16-21(14)8-9-24-16;1-10(2,3)14-9(13)12-6-4-8(11)5-7-12;/h4-8,11,14-15,18H,9-10,12-13H2,1-3H3,(H,27,28,29);2-9H,1H3;8H,4-7,11H2,1-3H3;1H4
• InChIKey: BWXQOWQLHKFDQJ-UHFFFAOYSA-N
• XLogP: 10.51
• TPSA: 217.43 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 18
• Rotatable Bonds: 7
• Heavy Atoms: 75
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1085.34
LogP ≤ 5	10.51
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	18

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-aminopiperidine-1-carboxylate;tert-butyl 4-[[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]pyrimidin-2-yl]amino]piperidine-1-carboxylate;6-(4-fluorophenyl)-5-(2-methylsulfonylpyrimidin-4-yl)imidazo[2,1-b][1,3]thiazole;methane?

The IUPAC name of tert-butyl 4-aminopiperidine-1-carboxylate;tert-butyl 4-[[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]pyrimidin-2-yl]amino]piperidine-1-carboxylate;6-(4-fluorophenyl)-5-(2-methylsulfonylpyrimidin-4-yl)imidazo[2,1-b][1,3]thiazole;methane (CID 157487831) is tert-butyl 4-aminopiperidine-1-carboxylate;tert-butyl 4-[[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]pyrimidin-2-yl]amino]piperidine-1-carboxylate;6-(4-fluorophenyl)-5-(2-methylsulfonylpyrimidin-4-yl)imidazo[2,1-b][1,3]thiazole;methane.

What is the SMILES notation for tert-butyl 4-aminopiperidine-1-carboxylate;tert-butyl 4-[[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]pyrimidin-2-yl]amino]piperidine-1-carboxylate;6-(4-fluorophenyl)-5-(2-methylsulfonylpyrimidin-4-yl)imidazo[2,1-b][1,3]thiazole;methane?

The canonical SMILES for tert-butyl 4-aminopiperidine-1-carboxylate;tert-butyl 4-[[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]pyrimidin-2-yl]amino]piperidine-1-carboxylate;6-(4-fluorophenyl)-5-(2-methylsulfonylpyrimidin-4-yl)imidazo[2,1-b][1,3]thiazole;methane is C.CC(C)(C)OC(=O)N1CCC(N)CC1.CC(C)(C)OC(=O)N1CCC(Nc2nccc(-c3c(-c4ccc(F)cc4)nc4sccn34)n2)CC1.CS(=O)(=O)c1nccc(-c2c(-c3ccc(F)cc3)nc3sccn23)n1.

What is the InChIKey of tert-butyl 4-aminopiperidine-1-carboxylate;tert-butyl 4-[[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]pyrimidin-2-yl]amino]piperidine-1-carboxylate;6-(4-fluorophenyl)-5-(2-methylsulfonylpyrimidin-4-yl)imidazo[2,1-b][1,3]thiazole;methane?

The InChIKey is BWXQOWQLHKFDQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27FN6O2S.C16H11FN4O2S2.C10H20N2O2.CH4/c1-25(2,3)34-24(33)31-12-9-18(10-13-31)28-22-27-11-8-19(29-22)21-20(16-4-6-17(26)7-5-16)30-23-32(21)14-15-35-23;1-25(22,23)15-18-7-6-12(19-15)14-13(10-2-4-11(17)5-3-10)20-16-21(14)8-9-24-16;1-10(2,3)14-9(13)12-6-4-8(11)5-7-12;/h4-8,11,14-15,18H,9-10,12-13H2,1-3H3,(H,27,28,29);2-9H,1H3;8H,4-7,11H2,1-3H3;1H4.

What are the key properties of tert-butyl 4-aminopiperidine-1-carboxylate;tert-butyl 4-[[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]pyrimidin-2-yl]amino]piperidine-1-carboxylate;6-(4-fluorophenyl)-5-(2-methylsulfonylpyrimidin-4-yl)imidazo[2,1-b][1,3]thiazole;methane?

tert-butyl 4-aminopiperidine-1-carboxylate;tert-butyl 4-[[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]pyrimidin-2-yl]amino]piperidine-1-carboxylate;6-(4-fluorophenyl)-5-(2-methylsulfonylpyrimidin-4-yl)imidazo[2,1-b][1,3]thiazole;methane has a molecular weight of 1085.34 g/mol, XLogP of 10.51, 7 rotatable bonds, 2 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 4-aminopiperidine-1-carboxylate;tert-butyl 4-[[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]pyrimidin-2-yl]amino]piperidine-1-carboxylate;6-(4-fluorophenyl)-5-(2-methylsulfonylpyrimidin-4-yl)imidazo[2,1-b][1,3]thiazole;methane is sourced from PubChem (CID 157487831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).