1-(2-amino-1,3-thiazol-5-yl)-2-(2-chloro-4-deuterio-6-methylphenyl)ethanone;2-(2-chloro-4-deuterio-6-methylphenyl)-1-[2-[(6-chloro-2-methylpyrimidin-4-yl)amino]-1,3-thiazol-5-yl]ethanone;2-(2-chloro-4-deuterio-6-methylphenyl)-1-[2-[(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)amino]-1,3-thiazol-5-yl]ethanone;4,6-dichloro-2-methylpyrimidine;piperidine

C61H64Cl6N14O3S3 — CID 162062132

About 1-(2-amino-1,3-thiazol-5-yl)-2-(2-chloro-4-deuterio-6-methylphenyl)ethanone;2-(2-chloro-4-deuterio-6-methylphenyl)-1-[2-[(6-chloro-2-methylpyrimidin-4-yl)amino]-1,3-thiazol-5-yl]ethanone;2-(2-chloro-4-deuterio-6-methylphenyl)-1-[2-[(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)amino]-1,3-thiazol-5-yl]ethanone;4,6-dichloro-2-methylpyrimidine;piperidine

1-(2-amino-1,3-thiazol-5-yl)-2-(2-chloro-4-deuterio-6-methylphenyl)ethanone;2-(2-chloro-4-deuterio-6-methylphenyl)-1-[2-[(6-chloro-2-methylpyrimidin-4-yl)amino]-1,3-thiazol-5-yl]ethanone;2-(2-chloro-4-deuterio-6-methylphenyl)-1-[2-[(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)amino]-1,3-thiazol-5-yl]ethanone;4,6-dichloro-2-methylpyrimidine;piperidine (PubChem CID 162062132) has the molecular formula C61H64Cl6N14O3S3 and a molecular weight of 1353.22 g/mol. Its IUPAC name is 1-(2-amino-1,3-thiazol-5-yl)-2-(2-chloro-4-deuterio-6-methylphenyl)ethanone;2-(2-chloro-4-deuterio-6-methylphenyl)-1-[2-[(6-chloro-2-methylpyrimidin-4-yl)amino]-1,3-thiazol-5-yl]ethanone;2-(2-chloro-4-deuterio-6-methylphenyl)-1-[2-[(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)amino]-1,3-thiazol-5-yl]ethanone;4,6-dichloro-2-methylpyrimidine;piperidine.

Molecular Properties

• Compound Name: 1-(2-amino-1,3-thiazol-5-yl)-2-(2-chloro-4-deuterio-6-methylphenyl)ethanone;2-(2-chloro-4-deuterio-6-methylphenyl)-1-[2-[(6-chloro-2-methylpyrimidin-4-yl)amino]-1,3-thiazol-5-yl]ethanone;2-(2-chloro-4-deuterio-6-methylphenyl)-1-[2-[(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)amino]-1,3-thiazol-5-yl]ethanone;4,6-dichloro-2-methylpyrimidine;piperidine
• PubChem CID: 162062132
• Molecular Formula: C61H64Cl6N14O3S3
• Molecular Weight: 1353.22 g/mol
• Exact Mass: 1349.28
• IUPAC Name: 1-(2-amino-1,3-thiazol-5-yl)-2-(2-chloro-4-deuterio-6-methylphenyl)ethanone;2-(2-chloro-4-deuterio-6-methylphenyl)-1-[2-[(6-chloro-2-methylpyrimidin-4-yl)amino]-1,3-thiazol-5-yl]ethanone;2-(2-chloro-4-deuterio-6-methylphenyl)-1-[2-[(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)amino]-1,3-thiazol-5-yl]ethanone;4,6-dichloro-2-methylpyrimidine;piperidine
• SMILES: C1CCNCC1.Cc1nc(Cl)cc(Cl)n1.[2H]c1cc(C)c(CC(=O)c2cnc(N)s2)c(Cl)c1.[2H]c1cc(C)c(CC(=O)c2cnc(Nc3cc(Cl)nc(C)n3)s2)c(Cl)c1.[2H]c1cc(C)c(CC(=O)c2cnc(Nc3cc(N4CCCCC4)nc(C)n3)s2)c(Cl)c1
• InChI: InChI=1S/C22H24ClN5OS.C17H14Cl2N4OS.C12H11ClN2OS.C5H4Cl2N2.C5H11N/c1-14-7-6-8-17(23)16(14)11-18(29)19-13-24-22(30-19)27-20-12-21(26-15(2)25-20)28-9-4-3-5-10-28;1-9-4-3-5-12(18)11(9)6-13(24)14-8-20-17(25-14)23-16-7-15(19)21-10(2)22-16;1-7-3-2-4-9(13)8(7)5-10(16)11-6-15-12(14)17-11;1-3-8-4(6)2-5(7)9-3;1-2-4-6-5-3-1/h6-8,12-13H,3-5,9-11H2,1-2H3,(H,24,25,26,27);3-5,7-8H,6H2,1-2H3,(H,20,21,22,23);2-4,6H,5H2,1H3,(H2,14,15);2H,1H3;6H,1-5H2/i6D;3D;2D
• InChIKey: YZZDOJQBZJDGAZ-CWLVDZQLSA-N
• XLogP: 16.35
• TPSA: 232.57 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 20
• Rotatable Bonds: 14
• Heavy Atoms: 87
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1353.22
LogP ≤ 5	16.35
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	20

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-1,3-thiazol-5-yl)-2-(2-chloro-4-deuterio-6-methylphenyl)ethanone;2-(2-chloro-4-deuterio-6-methylphenyl)-1-[2-[(6-chloro-2-methylpyrimidin-4-yl)amino]-1,3-thiazol-5-yl]ethanone;2-(2-chloro-4-deuterio-6-methylphenyl)-1-[2-[(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)amino]-1,3-thiazol-5-yl]ethanone;4,6-dichloro-2-methylpyrimidine;piperidine?

The IUPAC name of 1-(2-amino-1,3-thiazol-5-yl)-2-(2-chloro-4-deuterio-6-methylphenyl)ethanone;2-(2-chloro-4-deuterio-6-methylphenyl)-1-[2-[(6-chloro-2-methylpyrimidin-4-yl)amino]-1,3-thiazol-5-yl]ethanone;2-(2-chloro-4-deuterio-6-methylphenyl)-1-[2-[(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)amino]-1,3-thiazol-5-yl]ethanone;4,6-dichloro-2-methylpyrimidine;piperidine (CID 162062132) is 1-(2-amino-1,3-thiazol-5-yl)-2-(2-chloro-4-deuterio-6-methylphenyl)ethanone;2-(2-chloro-4-deuterio-6-methylphenyl)-1-[2-[(6-chloro-2-methylpyrimidin-4-yl)amino]-1,3-thiazol-5-yl]ethanone;2-(2-chloro-4-deuterio-6-methylphenyl)-1-[2-[(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)amino]-1,3-thiazol-5-yl]ethanone;4,6-dichloro-2-methylpyrimidine;piperidine.

What is the SMILES notation for 1-(2-amino-1,3-thiazol-5-yl)-2-(2-chloro-4-deuterio-6-methylphenyl)ethanone;2-(2-chloro-4-deuterio-6-methylphenyl)-1-[2-[(6-chloro-2-methylpyrimidin-4-yl)amino]-1,3-thiazol-5-yl]ethanone;2-(2-chloro-4-deuterio-6-methylphenyl)-1-[2-[(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)amino]-1,3-thiazol-5-yl]ethanone;4,6-dichloro-2-methylpyrimidine;piperidine?

The canonical SMILES for 1-(2-amino-1,3-thiazol-5-yl)-2-(2-chloro-4-deuterio-6-methylphenyl)ethanone;2-(2-chloro-4-deuterio-6-methylphenyl)-1-[2-[(6-chloro-2-methylpyrimidin-4-yl)amino]-1,3-thiazol-5-yl]ethanone;2-(2-chloro-4-deuterio-6-methylphenyl)-1-[2-[(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)amino]-1,3-thiazol-5-yl]ethanone;4,6-dichloro-2-methylpyrimidine;piperidine is C1CCNCC1.Cc1nc(Cl)cc(Cl)n1.[2H]c1cc(C)c(CC(=O)c2cnc(N)s2)c(Cl)c1.[2H]c1cc(C)c(CC(=O)c2cnc(Nc3cc(Cl)nc(C)n3)s2)c(Cl)c1.[2H]c1cc(C)c(CC(=O)c2cnc(Nc3cc(N4CCCCC4)nc(C)n3)s2)c(Cl)c1.

What is the InChIKey of 1-(2-amino-1,3-thiazol-5-yl)-2-(2-chloro-4-deuterio-6-methylphenyl)ethanone;2-(2-chloro-4-deuterio-6-methylphenyl)-1-[2-[(6-chloro-2-methylpyrimidin-4-yl)amino]-1,3-thiazol-5-yl]ethanone;2-(2-chloro-4-deuterio-6-methylphenyl)-1-[2-[(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)amino]-1,3-thiazol-5-yl]ethanone;4,6-dichloro-2-methylpyrimidine;piperidine?

The InChIKey is YZZDOJQBZJDGAZ-CWLVDZQLSA-N. The full InChI is InChI=1S/C22H24ClN5OS.C17H14Cl2N4OS.C12H11ClN2OS.C5H4Cl2N2.C5H11N/c1-14-7-6-8-17(23)16(14)11-18(29)19-13-24-22(30-19)27-20-12-21(26-15(2)25-20)28-9-4-3-5-10-28;1-9-4-3-5-12(18)11(9)6-13(24)14-8-20-17(25-14)23-16-7-15(19)21-10(2)22-16;1-7-3-2-4-9(13)8(7)5-10(16)11-6-15-12(14)17-11;1-3-8-4(6)2-5(7)9-3;1-2-4-6-5-3-1/h6-8,12-13H,3-5,9-11H2,1-2H3,(H,24,25,26,27);3-5,7-8H,6H2,1-2H3,(H,20,21,22,23);2-4,6H,5H2,1H3,(H2,14,15);2H,1H3;6H,1-5H2/i6D;3D;2D;;.

What are the key properties of 1-(2-amino-1,3-thiazol-5-yl)-2-(2-chloro-4-deuterio-6-methylphenyl)ethanone;2-(2-chloro-4-deuterio-6-methylphenyl)-1-[2-[(6-chloro-2-methylpyrimidin-4-yl)amino]-1,3-thiazol-5-yl]ethanone;2-(2-chloro-4-deuterio-6-methylphenyl)-1-[2-[(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)amino]-1,3-thiazol-5-yl]ethanone;4,6-dichloro-2-methylpyrimidine;piperidine?

1-(2-amino-1,3-thiazol-5-yl)-2-(2-chloro-4-deuterio-6-methylphenyl)ethanone;2-(2-chloro-4-deuterio-6-methylphenyl)-1-[2-[(6-chloro-2-methylpyrimidin-4-yl)amino]-1,3-thiazol-5-yl]ethanone;2-(2-chloro-4-deuterio-6-methylphenyl)-1-[2-[(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)amino]-1,3-thiazol-5-yl]ethanone;4,6-dichloro-2-methylpyrimidine;piperidine has a molecular weight of 1353.22 g/mol, XLogP of 16.35, 14 rotatable bonds, 4 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(2-amino-1,3-thiazol-5-yl)-2-(2-chloro-4-deuterio-6-methylphenyl)ethanone;2-(2-chloro-4-deuterio-6-methylphenyl)-1-[2-[(6-chloro-2-methylpyrimidin-4-yl)amino]-1,3-thiazol-5-yl]ethanone;2-(2-chloro-4-deuterio-6-methylphenyl)-1-[2-[(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)amino]-1,3-thiazol-5-yl]ethanone;4,6-dichloro-2-methylpyrimidine;piperidine is sourced from PubChem (CID 162062132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).